Glycoside
GD081011
Name:
NoneFormula:
C16H26O8N4Smiles:
CCC(=O)OCc1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1Aglycone:
CCC(=O)OCc1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.4 | Num_heavy_atoms: | 28 |
| TPSA: | 165.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD31953
Formula: C8H13O3N3
Smiles:
CCC(=O)OCc1cn(CCO)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 199.21 | Num_heavy_atoms: | 14 |
| TPSA: | 77.24 | NumAromaticRings: | 1 |
