Glycoside
GD071498
Name:
NoneFormula:
C14H19O6N5SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NS(=O)(=O)C3CC3)ncnc21Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C1CC1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.4 | Num_heavy_atoms: | 26 |
| TPSA: | 148.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD30391
Formula: C8H8O2N5S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C1CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.25 | Num_heavy_atoms: | 16 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
