Glycoside
GD004508
Name:
GLEDITSCHIASIDE AFormula:
C21H28O11Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC(=O)C=Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccccc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.44 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
