Glycoside
GD039705
Name:
(2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diolFormula:
C19H38O12N4Smiles:
N[C@H]1C[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](OCO[C@H]2[C@H](O)[C@H](CO)O[C@H](O)[C@@H]2N)[C@@H]1NAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OCOC1C(N)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.53 | Num_heavy_atoms: | 35 |
| TPSA: | 291.84 | 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 |
