Glycoside
...
GD014444

Name:
BRYONIOSIDE C

Formula:
C44H72O14

Smiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@@H]4C(=CC[C@@H]5[C@]6(C)CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@]6(C)CC(=O)[C@@]45C)C3(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.91
AlogP: 2.93 Num_rotatable_bonds: 11
MolWt: 825.05 Num_heavy_atoms: 58
TPSA: 221.9 NumAromaticRings: 0

Unique Aglycone
AD01522
Formula: C30H50O4

Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 5.68 Num_rotatable_bonds: 5
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD01919

CC(=O)OC1C(C)OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1O