Glycoside
GD125725
Name:
2-{[5-(1,2-dihydroxypropan-2-yl)-2-hydroxy-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H30O9Smiles:
CC(O)(CO)C1CCC(C)(O)C(OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
CC1(O)CCC(C(C)(O)CO)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.41 | Num_heavy_atoms: | 25 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD50857
Formula: C10H20O4
Smiles:
CC1(O)CCC(C(C)(O)CO)CC1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.27 | Num_heavy_atoms: | 14 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
