Glycoside
GD081043
Name:
NoneFormula:
C18H23O8N3Smiles:
COC(=O)c1cccc(-c2cn(CCO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)c1Aglycone:
COC(=O)c1cccc(-c2cn(CCO)nn2)c1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 156.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD36560
Formula: C12H13O3N3
Smiles:
COC(=O)c1cccc(-c2cn(CCO)nn2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.25 | Num_heavy_atoms: | 18 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
