GD016601

Name:

5-hydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl acetate

Formula:

C47H76O18

Smiles:

CC(=O)OC1C(O)COC(O[C@@H]2CC[C@@]34C[C@]35CC[C@]3(C)C([C@@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)C5C[C@H](OC3OCC(O)C(O)C3O)[C@H]4C2(C)C)C1OC1OCC(O)C(O)C1O

Aglycone:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

Sugarmoiety:

CC(=O)OC1C(O)COC(O)C1OC1OCC(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

• CHEMBL1972600
• CNP0115231

AD04921

Formula: C30H50O5

Smiles:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.44	Num_rotatable_bonds:	2
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0