Glycoside
GD144496
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C22H20O13Smiles:
COc1cc(O)c2c(=O)c(OC(=O)C3OC(O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(OC=O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD58070
Formula: C17H12O8
Smiles:
COc1cc(O)c2c(=O)c(OC=O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
