Glycoside
GD151769
Name:
methyl 6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C23H22O12Smiles:
COC(=O)C1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(OC)c(O)c4)oc23)C(O)C(O)C1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O| 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 |
