Glycoside
GD092393
Name:
NoneFormula:
C16H21O6N5S2Smiles:
C=CCC1(S(=O)(=O)Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
C=CCC1(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: | 0.56 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.51 | Num_heavy_atoms: | 29 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD40310
Formula: C11H12O2N5S2
Smiles:
C=CCC1(S(=O)(=O)Nc2[nH]c(=S)nc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.38 | Num_heavy_atoms: | 20 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
