Glycoside
GD150785
Name:
2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-fluorocyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H36O6N5FSmiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2F)OCC1(C)OAglycone:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2F)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.52 | Num_heavy_atoms: | 31 |
| TPSA: | 193.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD60194
Formula: C12H23O3N4F
Smiles:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2F)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.34 | Num_heavy_atoms: | 20 |
| TPSA: | 142.77 | NumAromaticRings: | 0 |
