Glycoside
GD127141
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-(3,4,5,6-tetrahydroxyoxane-2-carbonyloxy)propanoateFormula:
C24H22O14Smiles:
CC(OC(=O)C1OC(O)C(O)C(O)C1O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Aglycone:
CC(OC=O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.43 | Num_heavy_atoms: | 38 |
| TPSA: | 233.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD51473
Formula: C19H14O9
Smiles:
CC(OC=O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.31 | Num_heavy_atoms: | 28 |
| TPSA: | 143.5 | NumAromaticRings: | 3 |
