GD134204

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-(pentan-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:

C49H74O14

Smiles:

CCCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3OCC4C(O)C(C)=CC(C(=O)O1)C34O)O2

Aglycone:

CCCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3OCC4C(O)C(C)=CC(C(=O)O1)C34O)O2

Sugarmoiety:

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

Other Identifiers

• CNP0127964

AD54293

Formula: C35H50O8

Smiles:

CCCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3OCC4C(O)C(C)=CC(C(=O)O1)C34O)O2

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.69
AlogP:	4.9	Num_rotatable_bonds:	3
MolWt:	598.78	Num_heavy_atoms:	43
TPSA:	114.68	NumAromaticRings:	0