Glycoside
GD134079
Name:
6-[(1-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-1-oxopropan-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H22O14Smiles:
CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Aglycone:
CC(O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.43 | Num_heavy_atoms: | 38 |
| TPSA: | 233.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD54246
Formula: C18H14O8
Smiles:
CC(O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.3 | Num_heavy_atoms: | 26 |
| TPSA: | 137.43 | NumAromaticRings: | 3 |
