Glycoside
GD029589
Name:
NoneFormula:
C18H28O11N4Smiles:
COC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)nn1Aglycone:
COC(=O)c1cn(C2OC(CO)C(O)C(O)C2NC(C)=O)nn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -3.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.44 | Num_heavy_atoms: | 33 |
| TPSA: | 214.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD19235
Formula: C12H18O7N4
Smiles:
COC(=O)c1cn(C2OC(CO)C(O)C(O)C2NC(C)=O)nn1| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.3 | Num_heavy_atoms: | 23 |
| TPSA: | 156.03 | NumAromaticRings: | 1 |
