Glycoside
GD118145
Name:
6-O-VanilloylsucroseFormula:
C20H28O14Smiles:
COc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.43 | Num_heavy_atoms: | 34 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
