Glycoside
GD145008
Name:
5-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C23H22O12Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)C4OC(O)C(O)C(O)C4O)c(OC)c3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(OC=O)c(OC)c3o2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD58236
Formula: C18H14O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC=O)c(OC)c3o2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 95.2 | NumAromaticRings: | 3 |
