Glycoside
GD011737
Name:
CIMICIFUGIC ACID JFormula:
C22H22O11Smiles:
COc1cc(C=CC(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc(OC)c1OAglycone:
COc1cc(C=CC=O)cc(OC)c1O.Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 180.05 | 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 |
AD06436
Formula: C11H12O4
Smiles:
COc1cc(C=CC=O)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
