Glycoside
GD081137
Name:
NoneFormula:
C13H21O8N3S2Smiles:
CC(=O)Nc1ncc(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)s1Aglycone:
CC(=O)Nc1ncc(S(=O)(=O)NCCO)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 411.46 | Num_heavy_atoms: | 26 |
| TPSA: | 167.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD36588
Formula: C7H11O4N3S2
Smiles:
CC(=O)Nc1ncc(S(=O)(=O)NCCO)s1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 265.32 | Num_heavy_atoms: | 16 |
| TPSA: | 108.39 | NumAromaticRings: | 1 |
