Publication DOI: 10.1039/a804370aJournal NLM ID: 8502408Publisher: London: Royal Society of Chemistry
Institutions: Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh PA 15282-1530, USA
- Compound ID: 30173
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b-D-Ribf-(1-7)-Subst
Subst = 4-aminopyrrolo[2,3-d]pyrimidine-5-carbonitrile = SMILES N#CC1=CN=C2{7}NC=NC(N)=C21 |
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Structure type: monomer
Trivial name: toyocamycin
Compound class: nucleoside
- Compound ID: 30171
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b-D-Glcp-(1-1)-Subst
Subst = (E)-4-hydroxybut-2-enenitrile = SMILES N#C/C=C/{1}CO |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30158
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b-D-Glcp-(1-6)-Subst3Me4Me
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: simmonsin
Compound class: nitrile glycoside
- Compound ID: 30136
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b-D-Glcp-(1-1)-Subst
Subst = (2S,3S)-3-(hydroxymethyl)-3-methyloxirane-2-carbonitrile = SMILES N#C[C@@H]1O[C@@]1(C){1}CO |
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Structure type: monomer
Trivial name: osmaronin epoxide
Compound class: nitrile glycoside
- Compound ID: 30170
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b-D-Glcp-(1-1)-Subst
Subst = (Z)-4-hydroxybut-2-enenitrile = SMILES N#C/C=C\{1}CO |
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Structure type: monomer
Trivial name: osmaronin
Compound class: nitrile glycoside
- Compound ID: 30140
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b-D-Apif-(1-6)-b-D-Glcp-(1-2)-Subst
Subst = 2-hydroxy-2-methylbutanenitrile = SMILES C{2}C(O)(C#N)CC |
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Structure type: oligomer
Compound class: nitrile glycoside
- Compound ID: 30138
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a-L-Rhap-(1-1)-Subst
Subst = 4-hydroxybenzyl cyanide = SMILES C1=C{1}C(=CC=C1CC#N)O |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30139
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a-L-Rhap4Ac-(1-1)-Subst
Subst = 4-hydroxybenzyl cyanide = SMILES C1=C{1}C(=CC=C1CC#N)O |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30164
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b-D-Glcp-(1-6)-Subst
Subst = (Z)-2-((4S,6S)-4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile = SMILES N#C/C=C1{6}[C@@H](O)C{4}[C@H](O)C=C\1 |
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Structure type: monomer
Trivial name: purshianin
Compound class: nitrile glycoside
- Compound ID: 30146
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a-L-Rhap-(1-6)-b-D-Glcp-(1-7)-Subst
Subst = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: oligomer
Compound class: nitrile glycoside
- Compound ID: 30135
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b-D-Glcp-(1-4)-Subst
Subst = 2,3-bis(hydroxymethyl)oxirane-2-carbonitrile = SMILES N#CC1({1}CO)OC1{4}CO |
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Structure type: monomer
Trivial name: sarmentosin epoxide
Compound class: nitrile glycoside
- Compound ID: 30137
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b-D-Glcp-(1-1)-Subst
Subst = (S)-3,3-bis(hydroxymethyl)oxirane-2-carbonitrile = SMILES N#C[C@@H]1OC1({1}CO){5}CO |
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Structure type: monomer
Trivial name: sutherlandin epoxide
Compound class: nitrile glycoside
- Compound ID: 26372
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b-D-Glcp-(1-7)-Subst
Subst = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: monomer
Trivial name: prunasin
Compound class: glycoside, cyanogenic glycoside, nitrile glycoside
Reference(s) to other database(s): CCSD:
39172, CBank-STR:1147
- Compound ID: 30141
|
b-D-Apif-(1-6)-b-D-Glcp-(1-7)-Subst
Subst = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: oligomer
Compound class: nitrile glycoside
- Compound ID: 30142
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b-D-Apif5Bn-(1-6)-b-D-Glcp-(1-7)-Subst
Subst = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: oligomer
Compound class: nitrile glycoside
- Compound ID: 30143
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Sal2Me-(7-6)-b-D-Glcp-(1-1)-Subst1-(11-5)-b-D-Apif-(1-6)-b-D-Glcp-(1-7)-Subst2
Subst1 = 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid = SMILES O={11}C(O)/C1=C/O{1}C(O)C2/C({10}CO)=C\CC12;
Subst2 = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: oligomer
Compound class: iridoid glycoside
- Compound ID: 30144
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pCoum-(9-6)-b-D-Glcp-(1-7)-Subst
Subst = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30145
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Caf-(9-6)-b-D-Glcp-(1-7)-Subst
Subst = D-mandelonitrile = SMILES O{7}[C@H](C1=CC=CC=C1)C#N |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30147
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b-D-Glcp-(1-2)-Subst
Subst = 2-(2,4-dihydroxyphenyl)acetonitrile = SMILES N#CCC1={2}C(O)C={4}C(O)C=C1 |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30148
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Subst1-(1-3)-+
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b-D-Glcp-(1-6)-Subst2
Subst1 = 3-methylcrotonic acid = SMILES O={1}C(O)/C=C(C)/C;
Subst2 = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: ehretioside A1
Compound class: nitrile glycoside
- Compound ID: 30149
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Subst1-(1-4)-+
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b-D-Glcp-(1-6)-Subst2
Subst1 = 3-methylcrotonic acid = SMILES O={1}C(O)/C=C(C)/C;
Subst2 = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: ehretioside A2
Compound class: nitrile glycoside
- Compound ID: 30150
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Subst1-(1-2)-+
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b-D-Glcp-(1-6)-Subst2
Subst1 = 3-methylcrotonic acid = SMILES O={1}C(O)/C=C(C)/C;
Subst2 = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: ehretioside A3
Compound class: nitrile glycoside
- Compound ID: 30157
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b-D-Glcp-(1-6)-Subst3Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lanceolin C
Compound class: nitrile glycoside
- Compound ID: 30151
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b-D-Glcp-(1-6)-Subst3Bz4Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lophiroside A1
Compound class: nitrile glycoside
- Compound ID: 30152
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b-D-Glcp-(1-6)-Subst2Bz4Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lophiroside A2
Compound class: nitrile glycoside
- Compound ID: 30153
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Cin-(9-3)-+
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b-D-Glcp-(1-6)-Subst4Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lophiroside B1
Compound class: nitrile glycoside
- Compound ID: 30154
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Cin-(9-2)-+
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b-D-Glcp-(1-6)-Subst4Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lophiroside B2
Compound class: nitrile glycoside
- Compound ID: 30155
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b-D-Glcp-(1-6)-Subst2Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lanceolin A
Compound class: nitrile glycoside
- Compound ID: 30156
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b-D-Glcp-(1-6)-Subst4Bz
Subst = (E)-2-((2S,3S,4S,6R)-2,3,4,6-tetrahydroxycyclohexylidene)acetonitrile = SMILES {4}O[C@H]1C{6}[C@@H](O)/C({2}[C@H](O){3}[C@H]1O)=C\C#N |
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Structure type: monomer
Trivial name: lanceolin B
Compound class: nitrile glycoside
- Compound ID: 30159
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b-D-Glcp-(1-6)-Subst4Me
Subst = (Z)-2-((4R,5S,6S)-4,5,6-trihydroxycyclohex-2-en-1-ylidene)acetonitrile = SMILES N#C/C=C1{6}[C@H](O){5}[C@@H](O){4}[C@H](O)C=C\1 |
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Structure type: monomer
Trivial name: bauhinin
Compound class: nitrile glycoside
- Compound ID: 30160
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b-D-Glcp-(1-6)-Subst
Subst = (Z)-2-((4R,5S,6S)-4,5,6-trihydroxycyclohex-2-en-1-ylidene)acetonitrile = SMILES N#C/C=C1{6}[C@H](O){5}[C@@H](O){4}[C@H](O)C=C\1 |
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Structure type: monomer
Trivial name: lithospermoside
Compound class: nitrile glycoside
- Compound ID: 30161
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b-D-Glcp-(1-6)-Subst
Subst = (Z)-2-((4S,5S,6S)-4,5,6-trihydroxycyclohex-2-en-1-ylidene)acetonitrile = SMILES N#C/C=C1{6}[C@H](O){5}[C@@H](O){4}[C@@H](O)C=C\1 |
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Structure type: monomer
Trivial name: dasycarponin
Compound class: nitrile glycoside
- Compound ID: 30162
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b-D-Glcp-(1-6)-Subst
Subst = (Z)-2-((4R,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-ylidene)acetonitrile = SMILES N#C/C=C1{6}[C@H](O){5}[C@H](O){4}[C@H](O)C=C\1 |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30163
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b-D-Glcp-(1-6)-Subst
Subst = (Z)-2-((4S,6R)-4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile = SMILES N#C/C=C1{6}[C@H](O)C{4}[C@H](O)C=C\1 |
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Structure type: monomer
Trivial name: menisdaurin
Compound class: nitrile glycoside
- Compound ID: 30165
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b-D-Glcp-(1-1)-Subst
Subst = (Z)-4-hydroxy-2-methylbut-2-enenitrile = SMILES C/C(C#N)=C/{1}CO |
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Structure type: monomer
Trivial name: multifidin, rhodiocyanoside A
Compound class: nitrile glycoside
- Compound ID: 30166
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Gallic-(7-1)-+
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b-D-Glcp-(1-4)-Subst
Subst = (E)-4-hydroxy-2-(hydroxymethyl)but-2-enenitrile = SMILES O{4}C/C=C(C#N)/{1}CO |
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Structure type: monomer
Trivial name: rhodiocyanoside B
Compound class: nitrile glycoside
- Compound ID: 30167
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b-D-Glcp-(1-1)-Subst
Subst = (E)-2-(hydroxymethyl)but-2-enenitrile = SMILES C/C=C(C#N)/{1}CO |
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Structure type: monomer
Trivial name: rhodiocyanoside D
Compound class: nitrile glycoside
- Compound ID: 30168
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b-D-Glcp-(1-4)-Subst
Subst = (E)-4-hydroxy-2-(hydroxymethyl)but-2-enenitrile = SMILES O{4}C/C=C(C#N)/{1}CO |
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Structure type: monomer
Trivial name: sarmentosin
Compound class: nitrile glycoside
- Compound ID: 30169
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b-D-Glcp-(1-4)-Subst
Subst = 4-hydroxy-3-(hydroxymethyl)but-2-enenitrile = SMILES N#C/C=C({1}CO)\{4}CO |
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Structure type: monomer
Trivial name: sutherlandin
Compound class: nitrile glycoside
- Compound ID: 30172
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b-D-Glcp-(1-1)-Subst
Subst = 4-hydroxy-3-(hydroxymethyl)but-2-enenitrile = SMILES N#C/C=C({1}CO)\{4}CO |
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Structure type: monomer
Compound class: nitrile glycoside
- Compound ID: 30174
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Subst1-(7-6:7'-3)-+
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Subst2-(7'-4:7-2)-b-D-Glcp-(1-1)-Subst3
Subst1 = hexahydroxydiphenic acid = SMILES O{3}C1={4}C(O){5}C(O)=C(C2={55}C(O){54}C(O)={53}C(O)C=C2{57}C(O)=O)C({7}C(O)=O)=C1;
Subst2 = euphorbin A aglycon 1 = SMILES O=C1C=C([C@@](C(O)([C@@]1(O)O2)O)([H])C3=C2C(O)=C(C=C3{7}C(O)=O)O){57}C(O)=O;
Subst3 = 2-(hydroxymethyl)acrylonitrile = SMILES C=C(C#N){1}CO |
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Structure type: monomer
Trivial name: aleurinin A
Compound class: tannin
- Compound ID: 30175
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Subst1-(7-6:7'-3)-b-D-Glcp-(1-1)-Subst2
Subst1 = hexahydroxydiphenic acid = SMILES O{3}C1={4}C(O){5}C(O)=C(C2={55}C(O){54}C(O)={53}C(O)C=C2{57}C(O)=O)C({7}C(O)=O)=C1;
Subst2 = 2-(hydroxymethyl)acrylonitrile = SMILES C=C(C#N){1}CO |
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Structure type: monomer
Trivial name: aleurinin B
Compound class: tannin
Found