GD157198

Name:

21',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-6-(5-methylhexan-2-yl)-5,6-dihydro-3',7',18'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one

Formula:

C51H78O14

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C(C)CCC(C)C)O5)O4)OC(=O)C4C=C(C)C(O)C5COC(=CC=CC3C)C45O)CC2OC)OC(C)C1O

Aglycone:

CC1=CCC2CC(CC3(C=CC(C)C(C(C)CCC(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3COC(=CC=CC(C)C1O)C23O

Sugarmoiety:

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

Other Identifiers

• CNP0126474

AD62173

Formula: C37H54O8

Smiles:

CC1=CCC2CC(CC3(C=CC(C)C(C(C)CCC(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3COC(=CC=CC(C)C1O)C23O

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.7
AlogP:	5.54	Num_rotatable_bonds:	4
MolWt:	626.83	Num_heavy_atoms:	45
TPSA:	114.68	NumAromaticRings:	0