Glycoside
GD149751
Name:
methyl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylateFormula:
C23H22O12Smiles:
COC(=O)C1OC(Oc2cc(O)c3c(=O)c(OC)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1OAglycone:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
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
AD10717
Formula: C16H12O6
Smiles:
COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O| 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 |
