Glycoside
GD026550
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(heptan-2-yloxy)oxane-3,4,5-triolFormula:
C18H34O10Smiles:
CCCCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 410.46 | Num_heavy_atoms: | 28 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD17495
Formula: C7H16O
Smiles:
CCCCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
