Glycoside
GD121122
Name:
2-{[6-amino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxy-4-(methylamino)cyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C22H45O7N5Smiles:
CNC(C)C1CCC(N)C(OC2C(NC)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1Aglycone:
CNC(C)C1CCC(N)C(OC2C(NC)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 491.63 | Num_heavy_atoms: | 34 |
| TPSA: | 185.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD48726
Formula: C15H32O4N4
Smiles:
CNC(C)C1CCC(N)C(OC2C(NC)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.45 | Num_heavy_atoms: | 23 |
| TPSA: | 135.02 | NumAromaticRings: | 0 |
