Glycoside
...
GD039988

Name:
(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name)

Formula:
C22H37O14N3S2

Smiles:
CO[C@H]1O[C@H](Cn2cc(CSC[C@H]3O[C@H](S[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@@H]3O)nn2)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:
CSCc1cn(C)nn1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O.OCC1OC(SC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 10 FractionCSP3: 0.91
AlogP: -5.69 Num_rotatable_bonds: 10
MolWt: 631.68 Num_heavy_atoms: 41
TPSA: 269.93 NumAromaticRings: 1

Unique Aglycone
AD24626
Formula: C5H9N3S

Smiles:
CSCc1cn(C)nn1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.6
AlogP: 0.68 Num_rotatable_bonds: 2
MolWt: 143.22 Num_heavy_atoms: 9
TPSA: 30.71 NumAromaticRings: 1

Sugarmoiety
SD03543

COC1OC(O)C(O)C(O)C1O.OCC1OC(SC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O