Glycoside
GD079257
Name:
2-(hydroxymethyl)-5-(2-oxopropyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C19H22O10Smiles:
CC(=O)Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(CO)cc(=O)c12Aglycone:
CC(=O)Cc1cc(O)cc2oc(CO)cc(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 166.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD36297
Formula: C13H12O5
Smiles:
CC(=O)Cc1cc(O)cc2oc(CO)cc(=O)c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
