Glycoside
...
GD036317

Name:
None

Formula:
C85H124O40N24

Smiles:
CC1(C)O[C@@H]2[C@@H](n3cc(COCC(COCc4cn([C@@H]5O[C@H](Cn6cc(COC[C@@H]7OC(O)[C@H](O)[C@H](O)[C@H]7O)nn6)[C@@H]6OC(C)(C)O[C@H]65)nn4)(COCc4cn([C@@H]5O[C@H](Cn6cc(COC[C@@H]7OC(O)[C@H](O)[C@H](O)[C@H]7O)nn6)[C@@H]6OC(C)(C)O[C@H]65)nn4)COCc4cn([C@@H]5O[C@H](Cn6cc(COC[C@@H]7OC(O)[C@H](O)[C@H](O)[C@H]7O)nn6)[C@@H]6OC(C)(C)O[C@H]65)nn4)nn3)O[C@@H](Cn3cc(COC[C@@H]4OC(O)[C@H](O)[C@H](O)[C@H]4O)nn3)[C@H]2O1

Aglycone:
COCc1cn(CC2OC(n3cc(COCC(COCc4cn(C5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC65)nn4)(COCc4cn(C5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC65)nn4)COCc4cn(C5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC65)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: -10.69 Num_rotatable_bonds: 44
MolWt: 2122.06 Num_heavy_atoms: 149
TPSA: 790.88 NumAromaticRings: 8

Unique Aglycone
AD22919
Formula: C65H92O20N24

Smiles:
COCc1cn(CC2OC(n3cc(COCC(COCc4cn(C5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC65)nn4)(COCc4cn(C5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC65)nn4)COCc4cn(C5OC(Cn6cc(COC)nn6)C6OC(C)(C)OC65)nn4)nn3)C3OC(C)(C)OC23)nn1
HBA: 44 RingCount: 16
HBD: 0 FractionCSP3: 0.75
AlogP: 0.63 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