Glycoside
GD004137
Name:
NoneFormula:
C25H50O14N6Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCO[C@H]3[C@H](N)[C@@H](O[C@@H]4[C@H](N)C[C@H](N)[C@H](O)[C@H]4O)O[C@@H](CO)[C@H]3O)[C@H]2N)[C@@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OCOC1C(N)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -9.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 658.7 | Num_heavy_atoms: | 45 |
| TPSA: | 373.34 | 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 |
