Glycoside
GD010861
Name:
2-(hydroxymethyl)-6-({2-[8-(hydroxymethyl)-4a-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-yl}oxy)oxane-3,4,5-triolFormula:
C21H36O7Smiles:
CC(C)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)CCC=C(CO)[C@H]2C1Aglycone:
CC(C)(O)C1CCC2(C)CCC=C(CO)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD08337
Formula: C15H26O2
Smiles:
CC(C)(O)C1CCC2(C)CCC=C(CO)C2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
