Glycoside
GD101196
Name:
NoneFormula:
C18H21O5N5S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(S(C)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.53 | Num_heavy_atoms: | 30 |
| TPSA: | 139.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD42783
Formula: C12H10O2N5S
Smiles:
CS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.31 | Num_heavy_atoms: | 20 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
