GD008558

Name:

Indioside J

Formula:

C48H78O18

Smiles:

CCCO[C@@H]1O[C@H]([C@]2(O)O[C@@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H]2C)C[C@H]1C

Aglycone:

CCCOC1OC(C2(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)CC1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2036077
• CHEMBL2036078
• CNP0129193

AD06821

Formula: C30H48O5

Smiles:

CCCOC1OC(C2(O)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)CC1C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.44	Num_rotatable_bonds:	4
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	68.15	NumAromaticRings:	0