Glycoside
GD076435
Name:
NoneFormula:
C13H19O8N3SSmiles:
N#CCS(=O)(=O)N1CC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1Aglycone:
N#CCS(=O)(=O)N1CC2(CN(C=O)C2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -4.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.38 | Num_heavy_atoms: | 25 |
| TPSA: | 171.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD35248
Formula: C8H11O3N3S
Smiles:
N#CCS(=O)(=O)N1CC2(CN(C=O)C2)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 229.26 | Num_heavy_atoms: | 15 |
| TPSA: | 81.48 | NumAromaticRings: | 0 |
