Glycoside
...
GD033808

Name:
None

Formula:
C85H124O40N24

Smiles:
CC1(C)O[C@@H]2[C@H](O1)[C@H](OCc1cn(CC(Cn3cc(CO[C@H]4O[C@@H](Cn5cc(COC[C@@H]6OC(O)[C@H](O)[C@H](O)[C@H]6O)nn5)[C@H]5OC(C)(C)O[C@H]45)nn3)(Cn3cc(CO[C@@H]4O[C@H](Cn5cc(COC[C@@H]6OC(O)[C@H](O)[C@H](O)[C@H]6O)nn5)[C@@H]5OC(C)(C)O[C@@H]54)nn3)Cn3cc(CO[C@@H]4O[C@H](Cn5cc(COC[C@@H]6OC(O)[C@H](O)[C@H](O)[C@H]6O)nn5)[C@@H]5OC(C)(C)O[C@@H]54)nn3)nn1)O[C@@H]2Cn1cc(COC[C@@H]2OC(O)[C@H](O)[C@H](O)[C@H]2O)nn1

Aglycone:
COCc1cn(CC2OC(OCc3cn(CC(Cn4cc(COC5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC56)nn4)(Cn4cc(COC5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC56)nn4)Cn4cc(COC5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC56)nn4)nn3)C3OC(C)(C)OC23)nn1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 64 RingCount: 20
HBD: 16 FractionCSP3: 0.81
AlogP: -11.38 Num_rotatable_bonds: 44
MolWt: 2122.06 Num_heavy_atoms: 149
TPSA: 790.88 NumAromaticRings: 8

Unique Aglycone
AD21553
Formula: C65H92O20N24

Smiles:
COCc1cn(CC2OC(OCc3cn(CC(Cn4cc(COC5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC56)nn4)(Cn4cc(COC5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC56)nn4)Cn4cc(COC5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC56)nn4)nn3)C3OC(C)(C)OC23)nn1
HBA: 44 RingCount: 16
HBD: 0 FractionCSP3: 0.75
AlogP: -0.06 Num_rotatable_bonds: 36
MolWt: 1529.6 Num_heavy_atoms: 109
TPSA: 430.28 NumAromaticRings: 8

Sugarmoiety
SD01807

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O