Glycoside
GD001003
Name:
1-(hexadecanoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl hexadecanoateFormula:
C41H78O10Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 8.22 | Num_rotatable_bonds: | 35 |
| MolWt: | 731.06 | Num_heavy_atoms: | 51 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01044
Formula: C35H68O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 568.92 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
