Glycoside
GD025099
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3-methylhexatriacontan-18-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C49H96O11Smiles:
CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC(C)CC)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC(C)CCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 9.15 | Num_rotatable_bonds: | 39 |
| MolWt: | 861.3 | Num_heavy_atoms: | 60 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD16682
Formula: C37H76O
Smiles:
CCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC(C)CC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 13.51 | Num_rotatable_bonds: | 33 |
| MolWt: | 537.01 | Num_heavy_atoms: | 38 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
