Glycoside
...
GD026297

Name:
ARGELOSIDE F

Formula:
C54H86O22

Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H]7[C@@H]8CO[C@@]7(C)O[C@@]65O8)C4)C[C@H]3O)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:
CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(C)C1CCC4(C)C32

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 6 FractionCSP3: 0.96
AlogP: 1.67 Num_rotatable_bonds: 14
MolWt: 1087.26 Num_heavy_atoms: 76
TPSA: 269.06 NumAromaticRings: 0

Unique Aglycone
AD17343
Formula: C21H30O4

Smiles:
CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(C)C1CCC4(C)C32
HBA: 4 RingCount: 6
HBD: 1 FractionCSP3: 0.9
AlogP: 3.39 Num_rotatable_bonds: 0
MolWt: 346.47 Num_heavy_atoms: 25
TPSA: 47.92 NumAromaticRings: 0

Sugarmoiety
SD02698

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1