Glycoside
GD118542
Name:
5-(acetyloxy)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C23H20O13Smiles:
CC(=O)OC1C(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)OC(C(=O)O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(C(=O)O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.4 | Num_heavy_atoms: | 36 |
| TPSA: | 213.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
