Glycoside
GD130000
Name:
5-hydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H24O12Smiles:
COc1cc2c(cc1C1COc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C1=O)OCO2Aglycone:
COc1cc2c(cc1C1COc3cc(O)cc(O)c3C1=O)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD52667
Formula: C17H14O7
Smiles:
COc1cc2c(cc1C1COc3cc(O)cc(O)c3C1=O)OCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
