Glycoside
GD140423
Name:
methyl 6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C23H22O12Smiles:
COC(=O)C1OC(Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc23)C(O)C(O)C1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD51377
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
