Glycoside
GD037293
Name:
NoneFormula:
C22H37O7N7SSmiles:
NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCCCCCCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 543.65 | Num_heavy_atoms: | 37 |
| TPSA: | 217.8 | 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 |
AD23502
Formula: C13H28O4N2S
Smiles:
COS(=O)(=O)NC(=O)CCCCCCCCCCCN| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 13 |
| MolWt: | 308.44 | Num_heavy_atoms: | 20 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
