Glycoside
GD076360
Name:
NoneFormula:
C14H21O7N3SSmiles:
C#CC[S@](=O)Cc1cn(CCO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCS(=O)Cc1cn(CCO)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 375.4 | Num_heavy_atoms: | 25 |
| TPSA: | 147.16 | 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 |
