GD018837

Name:

None

Formula:

C45H72O16

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CCCC[C@@]6(C(=O)O)CC[C@]45C)C3(C)C)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CCCCC3(C(=O)O)CCC21C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL448411

AD13217

Formula: C28H44O3

Smiles:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CCCCC3(C(=O)O)CCC21C

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.89
AlogP:	6.6	Num_rotatable_bonds:	1
MolWt:	428.66	Num_heavy_atoms:	31
TPSA:	57.53	NumAromaticRings:	0