Glycoside
GD020770
Name:
NoneFormula:
C13H20O8N4P2SSmiles:
Cn1cnc2c(ncn2[C@@H]2O[C@H](COP(C)(=O)O)[C@H](OP(C)(=O)O)[C@H]2O)c1=SAglycone:
COP(C)(=O)O.CP(=O)(O)O.Cn1cnc2c(c1=S)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.34 | Num_heavy_atoms: | 28 |
| TPSA: | 158.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD05390
Formula: C2H7O3P
Smiles:
COP(C)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.05 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD14095
Formula: C6H5N4S
Smiles:
Cn1cnc2c(c1=S)N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.2 | Num_heavy_atoms: | 11 |
| TPSA: | 44.28 | NumAromaticRings: | 1 |
