Glycoside
GD036755
Name:
NoneFormula:
C13H20O6N4S2Smiles:
C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(CCN=[N+]=[N-])s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(CCN=[N+]=[N-])s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.46 | Num_heavy_atoms: | 25 |
| TPSA: | 164.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD23181
Formula: C7H10O2N4S2
Smiles:
CNS(=O)(=O)c1ccc(CCN=[N+]=[N-])s1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.32 | Num_heavy_atoms: | 15 |
| TPSA: | 94.93 | NumAromaticRings: | 1 |
