Glycoside
GD114985
Name:
2-{[5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O9Smiles:
CC1=CCC(O)C2(CO)CCC(C(C)(C)O)C(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1=CCC(O)C2(CO)CCC(C(C)(C)O)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.51 | Num_heavy_atoms: | 30 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45398
Formula: C15H26O4
Smiles:
CC1=CCC(O)C2(CO)CCC(C(C)(C)O)C(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.37 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
