Glycoside
GD030052
Name:
NoneFormula:
C21H19O4ClSmiles:
CC(=O)c1ccc(OC2C(O)COC2C=Cc2ccc(Cl)cc2)cc1Aglycone:
C=Cc1ccc(Cl)cc1.CC(=O)c1ccc(O)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.82 | Num_heavy_atoms: | 25 |
| TPSA: | 55.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD19474
Formula: C9H7Cl
Smiles:
C=Cc1ccc(Cl)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.6 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
