Glycoside
GD088547
Name:
NoneFormula:
C18H26O8N2SSmiles:
CS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(N2CCCC2)c1Aglycone:
CS(=O)(=O)c1ccc(C(N)=O)c(N2CCCC2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.48 | Num_heavy_atoms: | 29 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38739
Formula: C12H16O3N2S
Smiles:
CS(=O)(=O)c1ccc(C(N)=O)c(N2CCCC2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.34 | Num_heavy_atoms: | 18 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
