Glycoside
GD117527
Name:
methyl 3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateFormula:
C24H24O12Smiles:
COC(=O)C1OC(Oc2cc3oc(-c4ccc(OC)cc4)cc(=O)c3c(O)c2OC)C(O)C(O)C1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 174.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00146
Formula: C17H14O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
