Glycoside
GD108532
Name:
NoneFormula:
C20H22O5N5ClS2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4cc(C)c(Cl)cc4C)ncnc32)[C@H](O)[C@@H]1OAglycone:
Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c(C)cc1ClSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.0 | Num_heavy_atoms: | 32 |
| TPSA: | 139.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD44441
Formula: C14H11O2N5ClS
Smiles:
Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c(C)cc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.78 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
