Glycoside
GD140097
Name:
2-{[6-amino-3-({3-amino-6-[(dimethylamino)methyl]oxan-2-yl}oxy)-2-hydroxy-4-(methylamino)cyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C22H45O7N5Smiles:
CNC1CC(N)C(OC2OCC(C)(O)C(NC)C2O)C(O)C1OC1OC(CN(C)C)CCC1NAglycone:
CNC1CC(N)C(O)C(O)C1OC1OC(CN(C)C)CCC1NSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 491.63 | Num_heavy_atoms: | 34 |
| TPSA: | 176.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD56485
Formula: C15H32O4N4
Smiles:
CNC1CC(N)C(O)C(O)C1OC1OC(CN(C)C)CCC1N| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.45 | Num_heavy_atoms: | 23 |
| TPSA: | 126.23 | NumAromaticRings: | 0 |
