Glycoside
GD026797
Name:
2-{[7-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyltricyclo[4.4.0.0²,â¸]decan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@]2(C)[C@H](O)C13Aglycone:
CC(C)(O)C1CCC2(C)C3CC(O)C2(C)C(O)C13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD17648
Formula: C15H26O3
Smiles:
CC(C)(O)C1CCC2(C)C3CC(O)C2(C)C(O)C13| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
