Glycoside
GD008604
Name:
2-{[4,5-dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
CC1=CC[C@H](O)[C@]2(C)[C@H](O)C[C@H](C(C)C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC1=CCC(O)C2(C)C(O)CC(C(C)C)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD06847
Formula: C15H26O3
Smiles:
CC1=CCC(O)C2(C)C(O)CC(C(C)C)C(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
