Glycoside
GD040135
Name:
(2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acidFormula:
C45H84O11Smiles:
CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCC(C)CCCCCCCCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 9.73 | Num_rotatable_bonds: | 38 |
| MolWt: | 801.16 | Num_heavy_atoms: | 56 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD24675
Formula: C39H76O5
Smiles:
CCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCC(C)CCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 11.81 | Num_rotatable_bonds: | 35 |
| MolWt: | 625.03 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
