Glycoside
GD081014
Name:
NoneFormula:
C17H28O8N4Smiles:
CCOC(=O)CCc1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1Aglycone:
CCOC(=O)CCc1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 416.43 | Num_heavy_atoms: | 29 |
| TPSA: | 165.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD34175
Formula: C9H15O3N3
Smiles:
CCOC(=O)CCc1cn(CCO)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 213.24 | Num_heavy_atoms: | 15 |
| TPSA: | 77.24 | NumAromaticRings: | 1 |
