Glycoside
GD100689
Name:
NoneFormula:
C19H21O6N5S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4cccc(C(C)=O)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(=O)c1cccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.54 | Num_heavy_atoms: | 32 |
| TPSA: | 156.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD42513
Formula: C13H10O3N5S
Smiles:
CC(=O)c1cccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.32 | Num_heavy_atoms: | 22 |
| TPSA: | 115.48 | NumAromaticRings: | 2 |
