GD135088

Name:

6-(butan-2-yl)-5',21',24'-trihydroxy-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'-tetraen-2'-one

Formula:

C48H74O15

Smiles:

CCC(C)C1OC2(CCC1C)OC1CC=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)OC(C1)C2O)C34O

Aglycone:

CCC(C)C1OC2(CCC1C)OC1CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)OC(C1)C2O)C34O

Sugarmoiety:

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

Other Identifiers

• CNP0340946

AD54637

Formula: C34H50O9

Smiles:

CCC(C)C1OC2(CCC1C)OC1CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)OC(C1)C2O)C34O

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.74
AlogP:	3.5	Num_rotatable_bonds:	2
MolWt:	602.77	Num_heavy_atoms:	43
TPSA:	134.91	NumAromaticRings:	0