Glycoside
GD031689
Name:
NoneFormula:
C21H32O9N6SSmiles:
COC(=O)CCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)CCCCCCCCC(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 14 |
| MolWt: | 544.59 | Num_heavy_atoms: | 37 |
| TPSA: | 218.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD20396
Formula: C12H23O6NS
Smiles:
COC(=O)CCCCCCCCC(=O)NS(=O)(=O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 309.38 | Num_heavy_atoms: | 20 |
| TPSA: | 98.77 | NumAromaticRings: | 0 |
