Glycoside
GD024053
Name:
FIRMIANONE AFormula:
C36H38O11Smiles:
CC1=C[C@@H]2c3c(c(O)c4ccccc4c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@]3(O)c4ccccc4C(=O)[C@@]2(C=CC(C)(C)O)[C@@]3(O)C1Aglycone:
CC1=CC2c3c(c(O)c4ccccc4c3O)C3(O)c4ccccc4C(=O)C2(C=CC(C)(C)O)C3(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 646.69 | Num_heavy_atoms: | 47 |
| TPSA: | 197.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD16099
Formula: C30H28O6
Smiles:
CC1=CC2c3c(c(O)c4ccccc4c3O)C3(O)c4ccccc4C(=O)C2(C=CC(C)(C)O)C3(O)C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.55 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 3 |
