GD144296

Name:

4-(acetyloxy)-6-{[5-(acetyloxy)-6-{[10-(acetyloxy)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-methyloxan-3-yl]oxy}-2,4-dimethyloxan-3-yl pentanoate

Formula:

C46H73O17N

Smiles:

CCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(OC(C)=O)C=CC=CCC(C)OC(=O)CC(O)C3OC)C(OC(C)=O)C2N(C)C)CC1(C)OC(C)=O

Aglycone:

CCCCC(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O

Sugarmoiety:

CC(=O)OC1C(O)OC(C)C(OC2CC(C)(OC(C)=O)C(O)C(C)O2)C1N(C)C

Other Identifiers

• CNP0330100

AD01564

Formula: C5H10O2

Smiles:

CCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.26	Num_rotatable_bonds:	3
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD06789

Formula: C22H34O8

Smiles:

COC1C(O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.68
AlogP:	1.72	Num_rotatable_bonds:	4
MolWt:	426.51	Num_heavy_atoms:	30
TPSA:	119.36	NumAromaticRings:	0