Glycoside
GD033539
Name:
NoneFormula:
C16H22O7N2SSmiles:
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=CNc1cccc(S(=O)(=O)N2CCCC2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.43 | Num_heavy_atoms: | 26 |
| TPSA: | 136.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD18708
Formula: C11H14O3N2S
Smiles:
O=CNc1cccc(S(=O)(=O)N2CCCC2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.31 | Num_heavy_atoms: | 17 |
| TPSA: | 66.48 | NumAromaticRings: | 1 |
