Glycoside
GD016797
Name:
NoneFormula:
C14H20O5N6SSmiles:
Nc1ncnc2c(C3O[C@H](CSCCC(N)C(=O)O)[C@H](O)[C@H]3O)n[nH]c12Aglycone:
CSCCC(N)C(=O)O.Nc1ncnc2cn[nH]c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.42 | Num_heavy_atoms: | 26 |
| TPSA: | 193.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD11166
Formula: C5H5N5
Smiles:
Nc1ncnc2cn[nH]c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 80.48 | NumAromaticRings: | 2 |
