GD138953

Name:

6-(butan-2-yl)-24'-hydroxy-12'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraene-2',21'-dione

Formula:

C48H70O14

Smiles:

CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(=O)C(C)=CC(C(=O)O1)C34O)O2

Aglycone:

CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(=O)C(C)=CC(C(=O)O1)C34O)O2

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

• CNP0301691

AD56053

Formula: C34H46O8

Smiles:

CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(=O)C(C)=CC(C(=O)O1)C34O)O2

HBA:	8	RingCount:	5
HBD:	2	FractionCSP3:	0.65
AlogP:	4.52	Num_rotatable_bonds:	2
MolWt:	582.73	Num_heavy_atoms:	42
TPSA:	111.52	NumAromaticRings:	0