Glycoside
GD118212
Name:
methyl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateFormula:
C24H24O13Smiles:
COC(=O)C1OC(Oc2cc3oc(-c4ccc(OC)c(O)c4)cc(=O)c3c(O)c2OC)C(O)C(O)C1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.44 | Num_heavy_atoms: | 37 |
| TPSA: | 194.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD47242
Formula: C17H14O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
