Glycoside
GD037642
Name:
6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranosideFormula:
C62H118O13Smiles:
CCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 12.19 | Num_rotatable_bonds: | 50 |
| MolWt: | 1071.61 | Num_heavy_atoms: | 75 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD23682
Formula: C51H100O3
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.98 |
| AlogP: | 17.2 | Num_rotatable_bonds: | 45 |
| MolWt: | 761.36 | Num_heavy_atoms: | 54 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
