GD144012

Name:

2-{4-[11-chloro-17-(3-chloro-5-methyloxolan-2-yl)-1-hydroxyheptadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]-1-[3-({5-[(3,4-dihydroxy-5-methyloxolan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl}acetamide

Formula:

C45H54O16N2Cl2

Smiles:

CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)C(CC(=N)O)N(C3OCC(O)C(O)C3OC3OCC(OC4OC(C)C(O)C4O)C(O)C3O)C2=O)O1

Aglycone:

CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1

Sugarmoiety:

CC1OC(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0272118

AD51023

Formula: C30H30O5N2Cl2

Smiles:

CC1CC(Cl)C(C=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.25
AlogP:	5.59	Num_rotatable_bonds:	11
MolWt:	545.46	Num_heavy_atoms:	37
TPSA:	119.71	NumAromaticRings:	0