Glycoside
GD100747
Name:
NoneFormula:
C18H19O5N6ClS2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4cnc(Cl)c(C)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cnc1ClSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.96 | Num_heavy_atoms: | 31 |
| TPSA: | 152.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD42549
Formula: C12H8O2N6ClS
Smiles:
Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cnc1Cl| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.75 | Num_heavy_atoms: | 21 |
| TPSA: | 111.3 | NumAromaticRings: | 2 |
