Glycoside
GD142892
Name:
(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-methoxybenzoateFormula:
C21H24O10Smiles:
COc1ccccc1C(=O)OCc1cc(O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1ccccc1C(=O)OCc1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD50083
Formula: C15H14O5
Smiles:
COc1ccccc1C(=O)OCc1cc(O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
