GD030804

Name:

6-acetyl-14-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl benzoate

Formula:

C42H60O13

Smiles:

CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@@]4(C)[C@H]5[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@]6(C)[C@@H](C(C)=O)CC[C@]67O[C@]57CC[C@@H]4C3)C[C@H]2OC)[C@@H]1O

Aglycone:

CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(OC(=O)c2ccccc2)C(O)C13C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Other Identifiers

• CHEMBL3360248
• CNP0077540

AD19925

Formula: C28H36O6

Smiles:

CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(OC(=O)c2ccccc2)C(O)C13C

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.71
AlogP:	3.68	Num_rotatable_bonds:	3
MolWt:	468.59	Num_heavy_atoms:	34
TPSA:	96.36	NumAromaticRings:	1