Glycoside
...
GD037958

Name:
(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]

Formula:
C44H68O24N12

Smiles:
OC[C@H]1O[C@@H](c2cn([C@@H]3[C@@H](CO)O[C@@H](n4cc([C@H]5O[C@H](CO)[C@H](n6cc(CCCO[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7O)nn6)[C@H](O)[C@@H]5O)nn4)[C@@H](O)[C@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1n1cc(CCCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)nn1

Aglycone:
OCCCc1cn(C2C(CO)OC(c3cn(C4OC(CO)C(n5cc(C6OC(CO)C(n7cc(CCCO)nn7)C(O)C6O)nn5)C(O)C4O)nn3)C(O)C2O)nn1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 9
HBD: 17 FractionCSP3: 0.82
AlogP: -10.81 Num_rotatable_bonds: 21
MolWt: 1149.09 Num_heavy_atoms: 80
TPSA: 531.36 NumAromaticRings: 4

Unique Aglycone
AD23797
Formula: C32H48O14N12

Smiles:
OCCCc1cn(C2C(CO)OC(c3cn(C4OC(CO)C(n5cc(C6OC(CO)C(n7cc(CCCO)nn7)C(O)C6O)nn5)C(O)C4O)nn3)C(O)C2O)nn1
HBA: 26 RingCount: 7
HBD: 11 FractionCSP3: 0.75
AlogP: -6.45 Num_rotatable_bonds: 15
MolWt: 824.81 Num_heavy_atoms: 58
TPSA: 373.06 NumAromaticRings: 4

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O