Glycoside
GD148034
Name:
Psychosine SulfateFormula:
C24H47O10NSSmiles:
CCCCCCCCCCCCCC=CC(O)C(N)COC1OC(COS(=O)(=O)O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCC=CC(O)C(N)CO.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 20 |
| MolWt: | 541.7 | Num_heavy_atoms: | 36 |
| TPSA: | 189.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD03931
Formula: C18H37O2N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(N)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 299.5 | Num_heavy_atoms: | 21 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
