GD020873

Name:

None

Formula:

C49H74O21

Smiles:

COC(=O)[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]4C(=O)C=C4[C@@H]6C[C@@](C)(C(=O)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@@H](O)[C@H]2O)[C@H](O)[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(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL594917

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