Glycoside
...
GD038373

Name:
(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol

Formula:
C32H45O15N4

Smiles:
OC[C@H]1O[C@H](n2cc(CCC[n+]3cccc4ccccc43)nn2)[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H]1O

Aglycone:
C1=C(CCC[n+]2cccc3ccccc32)N=N[N]1

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 10 FractionCSP3: 0.66
AlogP: -5.03 Num_rotatable_bonds: 12
MolWt: 725.73 Num_heavy_atoms: 51
TPSA: 283.04 NumAromaticRings: 3

Unique Aglycone
AD23996
Formula: C14H14N4

Smiles:
C1=C(CCC[n+]2cccc3ccccc32)N=N[N]1
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.21
AlogP: 2.73 Num_rotatable_bonds: 4
MolWt: 238.29 Num_heavy_atoms: 18
TPSA: 42.7 NumAromaticRings: 2

Sugarmoiety
SD03348

OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O