Glycoside
GD145965
Name:
2-{[8a-hydroxy-3-(hydroxymethyl)-8-methyl-5-(propan-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
CC(C)C1CCC(C)C2(O)CC(OC3OC(CO)C(O)C(O)C3O)C(CO)=CC12Aglycone:
CC(C)C1CCC(C)C2(O)CC(O)C(CO)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD58563
Formula: C15H26O3
Smiles:
CC(C)C1CCC(C)C2(O)CC(O)C(CO)=CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
