Glycoside
GD031276
Name:
CIMICIFUGIC ACID HFormula:
C18H16O10Smiles:
O=C(O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O)c1ccc(O)cc1Aglycone:
Cc1ccc(O)c(O)c1.O=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.32 | Num_heavy_atoms: | 28 |
| TPSA: | 181.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD06437
Formula: C7H8O2
Smiles:
Cc1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
