Glycoside
GD010555
Name:
Ji-20BFormula:
C20H41O9N5Smiles:
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](C(C)N)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(N)C1OC(O)C(N)C(O)C1O.CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -5.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.57 | Num_heavy_atoms: | 34 |
| TPSA: | 254.18 | 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 |
