Glycoside
GD020902
Name:
NoneFormula:
C11H16O6N5PS2Smiles:
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=S)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(O)(O)=S.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.39 | Num_heavy_atoms: | 25 |
| TPSA: | 169.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD00206
Formula: CH5O3PS
Smiles:
COP(O)(O)=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD00851
Formula: C6H6N5S
Smiles:
CSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
