Glycoside
...
GD038374

Name:
[4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium

Formula:
C28H41O18N4

Smiles:
O=[N+](O)c1ccc(COCc2cn([C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)nn2)cc1

Aglycone:
O=[N+](O)c1ccc(COCC2=C[N]N=N2)cc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 11 FractionCSP3: 0.71
AlogP: -5.58 Num_rotatable_bonds: 13
MolWt: 721.65 Num_heavy_atoms: 50
TPSA: 328.7 NumAromaticRings: 2

Unique Aglycone
AD23997
Formula: C10H10O3N4

Smiles:
O=[N+](O)c1ccc(COCC2=C[N]N=N2)cc1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 1.83 Num_rotatable_bonds: 5
MolWt: 234.22 Num_heavy_atoms: 17
TPSA: 88.36 NumAromaticRings: 1

Sugarmoiety
SD03348

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