GD008771

Name:

None

Formula:

C49H74O21

Smiles:

COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C(=O)C=C3[C@@H]5C[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL594653

AD02343

Formula: C30H46O4

Smiles:

CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	6.41	Num_rotatable_bonds:	1
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0