GD130655

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)-21'-methoxy-5,11',13',22'-tetramethyl-3',7',18'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one

Formula:

C49H76O14

Smiles:

CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3OCC4C(OC)C(C)=CC(C(=O)O1)C34O)O2

Aglycone:

CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3OCC4C(OC)C(C)=CC(C(=O)O1)C34O)O2

Sugarmoiety:

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

Other Identifiers

• CNP0123766

AD52942

Formula: C35H52O8

Smiles:

CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3OCC4C(OC)C(C)=CC(C(=O)O1)C34O)O2

HBA:	8	RingCount:	5
HBD:	2	FractionCSP3:	0.74
AlogP:	5.39	Num_rotatable_bonds:	3
MolWt:	600.79	Num_heavy_atoms:	43
TPSA:	103.68	NumAromaticRings:	0