GD153853

Name:

4,5,11,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-13,31-dimethyl-27-oxo-17-pentyl-30-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-33-yl 2-methylbut-2-enoate

Formula:

C61H92O28

Smiles:

CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O2

Aglycone:

CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O2

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0280692

AD61156

Formula: C49H76O21

Smiles:

CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O2

HBA:	21	RingCount:	4
HBD:	1	FractionCSP3:	0.82
AlogP:	4.9	Num_rotatable_bonds:	12
MolWt:	1001.13	Num_heavy_atoms:	70
TPSA:	259.71	NumAromaticRings:	0