Glycoside
GD122364
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoateFormula:
C24H24O12Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Aglycone:
CC(O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD49299
Formula: C18H14O7
Smiles:
CC(O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
