GD004363

Name:

SAPINMUSAPONIN J

Formula:

C48H78O16

Smiles:

CC=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@]23C)[C@H](OC)O1

Aglycone:

CC=CC1CC(C2CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC23C)C(OC)O1

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL453234

AD03820

Formula: C30H48O3

Smiles:

CC=CC1CC(C2CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC23C)C(OC)O1

HBA:	3	RingCount:	5
HBD:	1	FractionCSP3:	0.87
AlogP:	6.91	Num_rotatable_bonds:	3
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	38.69	NumAromaticRings:	0