Glycoside
GD022382
Name:
NoneFormula:
C16H24O5N6SSmiles:
CSCC[C@H](N)C(=O)OC[C@@H]1O[C@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)CCSC.Cn1cnc2c(N)ncnc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.47 | Num_heavy_atoms: | 28 |
| TPSA: | 171.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD06499
Formula: C6H13O2NS
Smiles:
COC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
AD08255
Formula: C6H7N5
Smiles:
Cn1cnc2c(N)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.16 | Num_heavy_atoms: | 11 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
