GD137250

Name:

12'-({4-ethoxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one

Formula:

C47H70O14

Smiles:

CCOC1CC(OC2C(C)=CCC3CC(CC4(C=CC(C)C(CC)O4)O3)OC(=O)C3C=C(C)C(O)C4OCC(=CC=CC2C)C34O)OC(C)C1OC1CC(OC)C(O)C(C)O1

Aglycone:

CCC1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

Sugarmoiety:

CCOC1CC(O)OC(C)C1OC1CC(OC)C(O)C(C)O1

Other Identifiers

• CNP0340378

AD05713

Formula: C32H44O8

Smiles:

CCC1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.66
AlogP:	3.67	Num_rotatable_bonds:	1
MolWt:	556.7	Num_heavy_atoms:	40
TPSA:	114.68	NumAromaticRings:	0