Glycoside
GD082813
Name:
NoneFormula:
C16H24O7N4SSmiles:
C#CC[S@](=O)Cc1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1Aglycone:
C#CCS(=O)Cc1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 416.46 | Num_heavy_atoms: | 28 |
| TPSA: | 156.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD35227
Formula: C8H11O2N3S
Smiles:
C#CCS(=O)Cc1cn(CCO)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 213.26 | Num_heavy_atoms: | 14 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
