Glycoside
GD017987
Name:
2-(2-benzoyl-3,5-dihydroxy-4,6-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H24O9Smiles:
Cc1c(O)c(C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(C(=O)c2ccccc2)c1OAglycone:
Cc1c(O)c(C)c(O)c(C(=O)c2ccccc2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD03460
Formula: C15H14O4
Smiles:
Cc1c(O)c(C)c(O)c(C(=O)c2ccccc2)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
