Glycoside
GD030361
Name:
CIMICIFUGIC ACID FFormula:
C21H20O10Smiles:
COc1ccc(C=CC(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OAglycone:
COc1ccc(C=CC=O)cc1O.Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 170.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD19648
Formula: C10H10O3
Smiles:
COc1ccc(C=CC=O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
