Glycoside
GD010916
Name:
NoneFormula:
C24H24O10Smiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](COC(=O)C=Cc3ccc4c(c3)OCO4)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(O)cc1.COC(=O)C=Cc1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.45 | Num_heavy_atoms: | 34 |
| TPSA: | 140.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD08374
Formula: C11H10O4
Smiles:
COC(=O)C=Cc1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
