Glycoside
GD100425
Name:
NoneFormula:
C19H21O7N5S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4cc(C(=O)O)ccc4C)ncnc32)[C@H](O)[C@@H]1OAglycone:
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.54 | Num_heavy_atoms: | 33 |
| TPSA: | 176.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD42439
Formula: C13H10O4N5S
Smiles:
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.32 | Num_heavy_atoms: | 23 |
| TPSA: | 135.71 | NumAromaticRings: | 2 |
