Glycoside
GD155993
Name:
2-{[5-hydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
CC1=CCC(O)C2(C)CCC(C(C)(C)O)C(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1=CCC(O)C2(C)CCC(C(C)(C)O)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD61811
Formula: C15H26O3
Smiles:
CC1=CCC(O)C2(C)CCC(C(C)(C)O)C(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
