Glycoside
GD036468
Name:
NoneFormula:
C18H23O6N7SSmiles:
COc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CNS(N)(=O)=O)[C@H](O)[C@H]2O)c1Aglycone:
CNS(N)(=O)=O.COc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.49 | Num_heavy_atoms: | 32 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD09178
Formula: C13H12ON5
Smiles:
COc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.27 | Num_heavy_atoms: | 19 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
