Glycoside
GD035118
Name:
NoneFormula:
C18H20O7N6SSmiles:
CNC(=O)[C@@H]1OC(n2cnc3c(NCc4ccc(S(=O)(=O)O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=S(=O)(O)c1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.46 | Num_heavy_atoms: | 32 |
| TPSA: | 188.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD22236
Formula: C12H10O3N5S
Smiles:
O=S(=O)(O)c1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.31 | Num_heavy_atoms: | 21 |
| TPSA: | 118.64 | NumAromaticRings: | 2 |
