Glycoside
GD030230
Name:
NoneFormula:
C29H50O19N4Smiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](CO)O[C@H](OCCCCCCN=[N+]=[N-])[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COAglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.[N-]=[N+]=NCCCCCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | -5.33 | Num_rotatable_bonds: | 19 |
| MolWt: | 758.73 | Num_heavy_atoms: | 52 |
| TPSA: | 372.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD00077
Formula: C11H19O9N
Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
AD05617
Formula: C6H13ON3
Smiles:
[N-]=[N+]=NCCCCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 68.99 | NumAromaticRings: | 0 |
