GD030779

Name:

ACANKOREOSIDE I

Formula:

C48H76O20

Smiles:

C=C(CO)[C@@H]1CC[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](C[C@H](O)[C@@H]4[C@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@H]5CC[C@]43C)[C@H]12

Aglycone:

C=C(CO)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C=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

• CHEMBL1209876
• CNP0183090

AD19906

Formula: C30H46O6

Smiles:

C=C(CO)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C12

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.87
AlogP:	4.21	Num_rotatable_bonds:	4
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	115.06	NumAromaticRings:	0