Glycoside
GD139319
Name:
2,6-diamino-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic acidFormula:
C12H24O8N2Smiles:
NCC(CCC(N)C(=O)O)OC1OC(CO)C(O)C(O)C1OAglycone:
NCC(O)CCC(N)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 324.33 | Num_heavy_atoms: | 22 |
| TPSA: | 188.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD56179
Formula: C6H14O3N2
Smiles:
NCC(O)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 109.57 | NumAromaticRings: | 0 |
