Glycoside
GD034856
Name:
5-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}hexanoic acidFormula:
C27H40O16Smiles:
CC(C)C[C@@](CC(=O)O)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)CC(O)(CC(=O)O)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 620.6 | Num_heavy_atoms: | 43 |
| TPSA: | 262.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD22017
Formula: C15H20O6
Smiles:
CC(C)CC(O)(CC(=O)O)C(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
