Glycoside
GD022670
Name:
NoneFormula:
C13H17O5N5SSmiles:
C=CCn1c(=S)n(C2OC(CO)[C@H](O)[C@H]2O)c2nc(N)nc(O)c21Aglycone:
C=CCn1c(=S)[nH]c2nc(N)nc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 355.38 | Num_heavy_atoms: | 24 |
| TPSA: | 151.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD09275
Formula: C8H9ON5S
Smiles:
C=CCn1c(=S)[nH]c2nc(N)nc(O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.26 | Num_heavy_atoms: | 15 |
| TPSA: | 92.75 | NumAromaticRings: | 2 |
