Glycoside
GD004480
Name:
NoneFormula:
C15H20O6N4S2Smiles:
Cc1cc(S(=O)(=O)NC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)c(C)s1Aglycone:
CNS(=O)(=O)c1cc(C)sc1C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.48 | Num_heavy_atoms: | 27 |
| TPSA: | 156.77 | NumAromaticRings: | 2 |
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 |
AD03906
Formula: C7H11O2NS2
Smiles:
CNS(=O)(=O)c1cc(C)sc1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.3 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
