Glycoside
GD149705
Name:
5-hydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C23H22O12Smiles:
COc1cc2c(cc1-c1coc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c1=O)OCO2Aglycone:
COc1cc2c(cc1-c1coc3cc(O)cc(O)c3c1=O)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD59846
Formula: C17H12O7
Smiles:
COc1cc2c(cc1-c1coc3cc(O)cc(O)c3c1=O)OCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
