GD131713

Name:

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

Formula:

C48H72O15

Smiles:

CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C4COC5C(=O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C

Aglycone:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(=O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C

Sugarmoiety:

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

Other Identifiers

• CNP0179804

AD53345

Formula: C34H48O9

Smiles:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(=O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C

HBA:	9	RingCount:	5
HBD:	3	FractionCSP3:	0.71
AlogP:	3.71	Num_rotatable_bonds:	2
MolWt:	600.75	Num_heavy_atoms:	43
TPSA:	131.75	NumAromaticRings:	0