Glycoside
GD023825
Name:
CIMICIFUGIC ACID KFormula:
C20H18O9Smiles:
O=C(C=Cc1ccc(O)cc1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)cc1)C(=O)OAglycone:
Cc1ccc(O)cc1.O=CC=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.36 | Num_heavy_atoms: | 29 |
| TPSA: | 161.59 | 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 |
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
