Glycoside
GD040372
Name:
2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranoseFormula:
C22H44O11NPSmiles:
CCCCCCCC[C@H](C[C@@H](O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OP(=O)(O)O)[C@@H]1O)OC(=O)CCCCAglycone:
CCCCCCCCC(CC(N)O)OC(=O)CCCC.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 18 |
| MolWt: | 529.56 | Num_heavy_atoms: | 35 |
| TPSA: | 195.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD24743
Formula: C16H33O3N
Smiles:
CCCCCCCCC(CC(N)O)OC(=O)CCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 287.44 | Num_heavy_atoms: | 20 |
| TPSA: | 72.55 | NumAromaticRings: | 0 |
