Glycoside
GD122564
Name:
2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H24O11Smiles:
COc1cc(C2CC(=O)c3cc(OC4OC(CO)C(O)C(O)C4O)ccc3O2)cc2c1OCO2Aglycone:
COc1cc(C2CC(=O)c3cc(O)ccc3O2)cc2c1OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 153.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD49400
Formula: C17H14O6
Smiles:
COc1cc(C2CC(=O)c3cc(O)ccc3O2)cc2c1OCO2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
