Glycoside
GD091885
Name:
NoneFormula:
C17H22O7N2S2Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(-c3ccccn3)s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(-c2ccccn2)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.5 | Num_heavy_atoms: | 28 |
| TPSA: | 138.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD40076
Formula: C11H12O3N2S2
Smiles:
O=S(=O)(NCCO)c1ccc(-c2ccccn2)s1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.36 | Num_heavy_atoms: | 18 |
| TPSA: | 79.29 | NumAromaticRings: | 2 |
