Glycoside
GD130680
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C24H24O13Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc(OC)c1OCAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.44 | Num_heavy_atoms: | 37 |
| TPSA: | 194.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD47417
Formula: C18H16O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
