Glycoside
GD004035
Name:
SORBITAN TRIOLEATEFormula:
C60H108O8Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCC=CCCCCCCCC)[C@@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCCSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 17.23 | Num_rotatable_bonds: | 50 |
| MolWt: | 957.52 | Num_heavy_atoms: | 68 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD03577
Formula: C18H34O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 282.47 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03578
Formula: C38H70O4
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 12.15 | Num_rotatable_bonds: | 33 |
| MolWt: | 590.97 | Num_heavy_atoms: | 42 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
