GD114207

Name:

6-[(6-{[4-(acetyloxy)-16-ethyl-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl butanoate

Formula:

C52H85O19N

Smiles:

CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(=O)C=CC(C)=CC(COC4OC(C)C(O)C(OC)C4OC)C(CC)OC(=O)CC(OC(C)=O)C3C)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO.CCCC(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CNP0148089

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD05561

Formula: C25H38O8

Smiles:

CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.68
AlogP:	2.55	Num_rotatable_bonds:	5
MolWt:	466.57	Num_heavy_atoms:	33
TPSA:	127.2	NumAromaticRings:	0