Glycoside
GD081040
Name:
NoneFormula:
C19H25O8N3Smiles:
CCOC(=O)c1ccc(-c2cn(CCO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)cc1Aglycone:
CCOC(=O)c1ccc(-c2cn(CCO)nn2)cc1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.42 | Num_heavy_atoms: | 30 |
| TPSA: | 156.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD36557
Formula: C13H15O3N3
Smiles:
CCOC(=O)c1ccc(-c2cn(CCO)nn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.28 | Num_heavy_atoms: | 19 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
