Glycoside
GD153938
Name:
2-Palmitoyl-3-Stearoyl-2'-Sulfo-Alpha,Alpha-TrehaloseFormula:
C46H86O16SSmiles:
CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)C1OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O=S(=O)(O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 7.27 | Num_rotatable_bonds: | 38 |
| MolWt: | 927.24 | Num_heavy_atoms: | 63 |
| TPSA: | 245.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
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 |
