Glycoside
GD115114
Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(propan-2-yloxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxybenzoateFormula:
C21H30O12Smiles:
CC(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(COC(=O)c2ccc(O)cc2)C1OAglycone:
COC(=O)c1ccc(O)cc1Sugarmoiety:
CC(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
