Glycoside
GD033684
Name:
NoneFormula:
C19H31O9N5P2SSmiles:
Nc1nc(SCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc(SCCC2CCCCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 567.5 | Num_heavy_atoms: | 36 |
| TPSA: | 223.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD09673
Formula: C13H18N5S
Smiles:
Nc1nc(SCCC2CCCCC2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.39 | Num_heavy_atoms: | 19 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
