Glycoside
GD127317
Name:
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C22H20O12Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)C4OC(O)C(O)C(O)C4O)cc3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(OC=O)cc3o2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD51555
Formula: C17H12O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC=O)cc3o2)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
