Glycoside
GD118255
Name:
5,3',4'-Trihydroxy-3-Methoxy-6,7-Methylenedioxyflavone 4'-GlucuronideFormula:
C23H20O14Smiles:
COc1c(-c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)oc2cc3c(c(O)c2c1=O)OCO3Aglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc3c(c(O)c2c1=O)OCO3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.4 | Num_heavy_atoms: | 37 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD47267
Formula: C17H12O8
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc3c(c(O)c2c1=O)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
