Glycoside
GD067368
Name:
NoneFormula:
C12H21O7N3SSmiles:
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
Cc1nn(C)c(C)c1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 351.38 | Num_heavy_atoms: | 23 |
| TPSA: | 161.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD30848
Formula: C6H11O2N3S
Smiles:
Cc1nn(C)c(C)c1S(N)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 189.24 | Num_heavy_atoms: | 12 |
| TPSA: | 77.98 | NumAromaticRings: | 1 |
