GD000082

Name:

ACANKOREOSIDE O

Formula:

C48H78O20

Smiles:

CC(C)[C@]1(O)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@H]21

Aglycone:

CC(C)C1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C21

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1209881
• CNP0306431

AD00108

Formula: C30H48O6

Smiles:

CC(C)C1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C21

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.35	Num_rotatable_bonds:	3
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	115.06	NumAromaticRings:	0