Glycoside
GD138331
Name:
Prehrysophanol GlucuronideFormula:
C21H22O10Smiles:
CC1(O)CC(=O)c2c(cc3cccc(OC4OC(C(=O)O)C(O)C(O)C4O)c3c2O)C1Aglycone:
CC1(O)CC(=O)c2c(cc3cccc(O)c3c2O)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD55852
Formula: C15H14O4
Smiles:
CC1(O)CC(=O)c2c(cc3cccc(O)c3c2O)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
