Glycoside
GD126544
Name:
methyl 3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylateFormula:
C24H22O14Smiles:
COC(=O)C1OC(Oc2ccc(-c3oc4cc5c(c(O)c4c(=O)c3OC)OCO5)cc2O)C(O)C(O)C1OAglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc3c(c(O)c2c1=O)OCO3Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.43 | Num_heavy_atoms: | 38 |
| TPSA: | 203.81 | 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 |
