GD031805

Name:

None

Formula:

C54H90O21

Smiles:

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

Aglycone:

CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4293106

AD20465

Formula: C30H50O4

Smiles:

CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.9
AlogP:	5.68	Num_rotatable_bonds:	4
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0