Glycoside
GD132276
Name:
4,5-dihydroxy-2-[(5-hydroxy-2,6-dimethyl-4-oxo-4H-chromen-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C19H22O10Smiles:
CC(=O)OC1C(Oc2cc3oc(C)cc(=O)c3c(O)c2C)OC(CO)C(O)C1OAglycone:
Cc1cc(=O)c2c(O)c(C)c(O)cc2o1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD45091
Formula: C11H10O4
Smiles:
Cc1cc(=O)c2c(O)c(C)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
