GD010081

Name:

ACANKOREOSIDE K

Formula:

C48H78O21

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](OC[C@@H]3O[C@H](OC(=O)[C@@]45CC[C@H]([C@@](C)(O)CO)[C@H]4[C@@H]4CC[C@@H]6[C@]7(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]7CC[C@@]6(C)[C@@]4(C)CC5)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(O)(CO)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

Sugarmoiety:

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

Other Identifiers

• CHEMBL1209883
• CNP0100405

AD07830

Formula: C30H48O7

Smiles:

CC(O)(CO)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

HBA:	7	RingCount:	5
HBD:	5	FractionCSP3:	0.93
AlogP:	4.32	Num_rotatable_bonds:	4
MolWt:	520.71	Num_heavy_atoms:	37
TPSA:	135.29	NumAromaticRings:	0