Glycoside
GD101864
Name:
NoneFormula:
C20H25O6N5S2Smiles:
CCCCc1ccc(S(=O)(=O)Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCCCc1ccc(S(=O)(=O)Nc2[nH]c(=S)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.58 | Num_heavy_atoms: | 33 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43129
Formula: C15H16O2N5S2
Smiles:
CCCCc1ccc(S(=O)(=O)Nc2[nH]c(=S)nc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.46 | Num_heavy_atoms: | 24 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
