GD124370

Name:

6-(butan-2-yl)-3,4,24'-trihydroxy-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',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one

Formula:

C49H76O16

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(OC)C(C)=CC(C(=O)O3)C45O)O2)C(O)C(O)C1C

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0336689

AD50237

Formula: C35H52O10

Smiles:

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

HBA:	10	RingCount:	5
HBD:	4	FractionCSP3:	0.74
AlogP:	3.13	Num_rotatable_bonds:	3
MolWt:	632.79	Num_heavy_atoms:	45
TPSA:	144.14	NumAromaticRings:	0