GD032472

Name:

6-[(6-{[4-(acetyloxy)-5-methoxy-9,16-dimethyl-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 3-methylbutanoate

Formula:

C42H67O15N

Smiles:

CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=CC(=O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O

Aglycone:

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

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL3085400
• CNP0137538

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD09657

Formula: C22H32O8

Smiles:

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

HBA:	8	RingCount:	1
HBD:	1	FractionCSP3:	0.64
AlogP:	1.93	Num_rotatable_bonds:	4
MolWt:	424.49	Num_heavy_atoms:	30
TPSA:	116.2	NumAromaticRings:	0