Glycoside
GD038263
Name:
2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)-4-(methylamino)oxane-3,5-diolFormula:
C19H39O10N5Smiles:
CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@@H]3N)[C@H]2O)O[C@H](CO)[C@@H]1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.55 | Num_heavy_atoms: | 34 |
| TPSA: | 274.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
