Glycoside
GD100717
Name:
NoneFormula:
C20H23O6N5SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NS(=O)(=O)c3ccc(C4CC4)cc3)ncnc21Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(C2CC2)cc1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 148.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42530
Formula: C14H12O2N5S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(C2CC2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.35 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
