Glycoside
GD038005
Name:
2-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C21H43O7N5Smiles:
CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@H]3OC[C@@](C)(O)[C@H](NC)[C@@H]3O)[C@H]2O)O1Aglycone:
CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.6 | Num_heavy_atoms: | 33 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD03783
Formula: C14H30O4N4
Smiles:
CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.42 | Num_heavy_atoms: | 22 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
