Glycoside
GD022854
Name:
NoneFormula:
C17H18O6N4S2Smiles:
Nc1ccn([C@@H]2O[C@H](CNS(=O)(=O)c3cc4ccccc4s3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNS(=O)(=O)c1cc2ccccc2s1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.49 | Num_heavy_atoms: | 29 |
| TPSA: | 156.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD07114
Formula: C9H9O2NS2
Smiles:
CNS(=O)(=O)c1cc2ccccc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.31 | Num_heavy_atoms: | 14 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
