Glycoside
GD040097
Name:
sulfogalactoceramideFormula:
C48H93O12NSSmiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 9.31 | Num_rotatable_bonds: | 43 |
| MolWt: | 908.33 | Num_heavy_atoms: | 62 |
| TPSA: | 212.31 | 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 |
AD04345
Formula: C42H83O4N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 11.65 | Num_rotatable_bonds: | 38 |
| MolWt: | 666.13 | Num_heavy_atoms: | 47 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
