Glycoside
GD130460
Name:
3-(2H-1,3-benzodioxol-5-yl)-5-hydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H24O12Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)C(c1ccc3c(c1)OCO3)CO2Aglycone:
COc1c(O)cc2c(c1O)C(=O)C(c1ccc3c(c1)OCO3)CO2Sugarmoiety:
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
AD52872
Formula: C17H14O7
Smiles:
COc1c(O)cc2c(c1O)C(=O)C(c1ccc3c(c1)OCO3)CO2| 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 |
