Glycoside
GD156316
Name:
2-{[2,4-diamino-5-({3-amino-6-[(methylamino)methyl]oxan-2-yl}oxy)cyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H41O6N5Smiles:
CNCC1CCC(N)C(OC2CC(OC3OCC(C)(O)C(NC)C3O)C(N)CC2N)O1Aglycone:
CNCC1CCC(N)C(OC2CC(O)C(N)CC2N)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.58 | Num_heavy_atoms: | 31 |
| TPSA: | 179.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD61912
Formula: C13H28O3N4
Smiles:
CNCC1CCC(N)C(OC2CC(O)C(N)CC2N)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.39 | Num_heavy_atoms: | 20 |
| TPSA: | 128.78 | NumAromaticRings: | 0 |
