Glycoside
GD128900
Name:
(6-{4-[cyano(hydroxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C23H23O10NSmiles:
N#CC(O)c1ccc(OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)cc1Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.N#CC(O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.43 | Num_heavy_atoms: | 34 |
| TPSA: | 189.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD10967
Formula: C8H7O2N
Smiles:
N#CC(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
