Glycoside
GD082850
Name:
NoneFormula:
C18H24O7N2SSmiles:
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cccc12Aglycone:
CN(C)c1cccc2c(S(N)(=O)=O)cccc12Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.46 | Num_heavy_atoms: | 28 |
| TPSA: | 147.4 | 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 |
