Glycoside
GD080935
Name:
NoneFormula:
C18H24O7N2SSmiles:
CN(C)c1cccc2c(S(=O)(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cccc12Aglycone:
CN(C)c1cccc2c(S(N)(=O)=O)cccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.46 | Num_heavy_atoms: | 28 |
| TPSA: | 139.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD36537
Formula: C12H14O2N2S
Smiles:
CN(C)c1cccc2c(S(N)(=O)=O)cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.32 | Num_heavy_atoms: | 17 |
| TPSA: | 63.4 | NumAromaticRings: | 2 |
