Glycoside
GD146451
Name:
6-amino-2-{[4,5,6-trihydroxy-2-oxo-3-(phosphonooxy)hexyl]amino}hexanoic acidFormula:
C12H25O10N2PSmiles:
NCCCCC(NCC(=O)C(OP(=O)(O)O)C(O)C(O)CO)C(=O)OAglycone:
CNC(CCCCN)C(=O)OSugarmoiety:
O=C(O)C(OP(=O)(O)O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 0 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 388.31 | Num_heavy_atoms: | 25 |
| TPSA: | 219.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD58728
Formula: C7H16O2N2
Smiles:
CNC(CCCCN)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 160.22 | Num_heavy_atoms: | 11 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
