Glycoside
GD130225
Name:
[6-({6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoateFormula:
C27H31O13NSmiles:
N#CC(OC1OC(COC2OC(COC(=O)c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccc(O)cc1.N#CC(O)c1ccccc1Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 577.54 | Num_heavy_atoms: | 41 |
| TPSA: | 228.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
