Glycoside
...
GD038911

Name:
azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium

Formula:
C14H20O4N9S2

Smiles:
N=[N+]=NC[C@H]1O[C@H](n2c(SCC(=O)NCCS)nc3c(N)ncnc32)[C@@H](O)[C@H]1O

Aglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCS)[N]2

Sugarmoiety:
N=[N+]=NCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.57
AlogP: -1.28 Num_rotatable_bonds: 8
MolWt: 442.51 Num_heavy_atoms: 29
TPSA: 198.72 NumAromaticRings: 2

Unique Aglycone
AD24182
Formula: C9H11ON6S2

Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCS)[N]2
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: 0.07 Num_rotatable_bonds: 4
MolWt: 283.36 Num_heavy_atoms: 18
TPSA: 107.36 NumAromaticRings: 1

Sugarmoiety
SD03431

N=[N+]=NCC1OC(O)C(O)C1O