Glycoside
GD136298
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-(3,4,5,6-tetrahydroxyoxane-2-carbonyloxy)propanoateFormula:
C24H22O13Smiles:
CC(OC(=O)C1OC(O)C(O)C(O)C1O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Aglycone:
CC(OC=O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.43 | Num_heavy_atoms: | 37 |
| TPSA: | 213.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD55089
Formula: C19H14O8
Smiles:
CC(OC=O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.31 | Num_heavy_atoms: | 27 |
| TPSA: | 123.27 | NumAromaticRings: | 3 |
