Glycoside
GD011911
Name:
NoneFormula:
C25H33O11N7S2Smiles:
CCc1nc(N)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)CS(=O)(=O)NCCc4c(O)c5c(c(C)c4OC)COC5=O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCc1nc(N)c2c(n1)[N]C=N2.CNS(=O)(=O)CS(=O)(=O)NCCc1c(O)c2c(c(C)c1OC)COC2=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 671.71 | Num_heavy_atoms: | 45 |
| TPSA: | 267.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD04985
Formula: C7H8N5
Smiles:
CCc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09028
Formula: C14H20O8N2S2
Smiles:
CNS(=O)(=O)CS(=O)(=O)NCCc1c(O)c2c(c(C)c1OC)COC2=O| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.45 | Num_heavy_atoms: | 26 |
| TPSA: | 148.1 | NumAromaticRings: | 1 |
