Glycoside
GD015074
Name:
INUGALACTOLIPID AFormula:
C49H86O15Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 37 |
| MolWt: | 915.21 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD08126
Formula: C37H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 10.5 | Num_rotatable_bonds: | 31 |
| MolWt: | 590.93 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
