Glycoside
GD141628
Name:
2-{[2,4-diamino-5-({3-amino-6-[(dimethylamino)methyl]oxan-2-yl}oxy)cyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C21H43O6N5Smiles:
CNC1C(O)C(OC2CC(OC3OC(CN(C)C)CCC3N)C(N)CC2N)OCC1(C)OAglycone:
CN(C)CC1CCC(N)C(OC2CC(O)C(N)CC2N)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.6 | Num_heavy_atoms: | 32 |
| TPSA: | 170.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD57045
Formula: C14H30O3N4
Smiles:
CN(C)CC1CCC(N)C(OC2CC(O)C(N)CC2N)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.42 | Num_heavy_atoms: | 21 |
| TPSA: | 119.99 | NumAromaticRings: | 0 |
