Glycoside
GD100578
Name:
NoneFormula:
C19H19O7N5SSmiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4cc(C(=O)O)cc(C(=O)O)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1cc(Nc2ncnc3c2N=C[N]3)cc(C(=O)O)c1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.46 | Num_heavy_atoms: | 32 |
| TPSA: | 179.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD42452
Formula: C13H8O4N5
Smiles:
O=C(O)c1cc(Nc2ncnc3c2N=C[N]3)cc(C(=O)O)c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.24 | Num_heavy_atoms: | 22 |
| TPSA: | 138.87 | NumAromaticRings: | 2 |
