Glycoside
GD119022
Name:
2-[(6-amino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxy-4-(methylamino)cyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H41O7N5Smiles:
CNC1CC(N)C(OC2OCC(C)(O)C(NC)C2O)C(O)C1OC1OC(CN)CCC1NAglycone:
CNC1CC(N)C(O)C(O)C1OC1OC(CN)CCC1NSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 463.58 | Num_heavy_atoms: | 32 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD47641
Formula: C13H28O4N4
Smiles:
CNC1CC(N)C(O)C(O)C1OC1OC(CN)CCC1N| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.39 | Num_heavy_atoms: | 21 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
