Glycoside
GD130862
Name:
2-[(4-amino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxy-6-(methylamino)cyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H39O7N5Smiles:
CNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1OAglycone:
CNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.56 | Num_heavy_atoms: | 32 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD53026
Formula: C13H26O4N4
Smiles:
CNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.37 | Num_heavy_atoms: | 21 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
