Glycoside
GD027442
Name:
SORBITAN TRISTEARATEFormula:
C60H114O8Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OCC(O)[C@H]1OC(=O)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCCSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 17.9 | Num_rotatable_bonds: | 53 |
| MolWt: | 963.56 | Num_heavy_atoms: | 68 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD02455
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD18037
Formula: C38H74O4
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 12.6 | Num_rotatable_bonds: | 35 |
| MolWt: | 595.01 | Num_heavy_atoms: | 42 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
