Glycoside
GD158179
Name:
2-[(2,4-diamino-5-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}cyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H37O6N5Smiles:
CNC1C(O)C(OC2CC(OC3OC(CN)=CCC3N)C(N)CC2N)OCC1(C)OAglycone:
NCC1=CCC(N)C(OC2CC(O)C(N)CC2N)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.53 | Num_heavy_atoms: | 30 |
| TPSA: | 193.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD62464
Formula: C12H24O3N4
Smiles:
NCC1=CCC(N)C(OC2CC(O)C(N)CC2N)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.35 | Num_heavy_atoms: | 19 |
| TPSA: | 142.77 | NumAromaticRings: | 0 |
