Glycoside
GD040102
Name:
(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranosideFormula:
C24H47O10NSSmiles:
CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@@H]1OAglycone:
CCCCCCCCCCCCCC=CC(O)C(N)CO.O=S(=O)(O)OSugarmoiety:
OCC1OC(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
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 |
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 |
