Glycoside
GD119396
Name:
[3,4,5-trihydroxy-6-(2,3,4-trihydroxy-2-methylbutoxy)oxan-2-yl]methyl 4-methoxybenzoateFormula:
C19H28O11Smiles:
COc1ccc(C(=O)OCC2OC(OCC(C)(O)C(O)CO)C(O)C(O)C2O)cc1Aglycone:
COC(=O)c1ccc(OC)cc1Sugarmoiety:
CC(O)(COC1OC(O)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 432.42 | Num_heavy_atoms: | 30 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
