GD130488

Name:

"3-Propionyl-4""""-Isovaleryltylosin"

Formula:

C54H89O19N

Smiles:

CCC(=O)OC1CC(=O)OC(CC)C(COC2OC(C)C(O)C(OC)C2OC)C=C(C)C=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)C1C

Aglycone:

CC(C)CC(=O)O.CCC(=O)OC1CC(=O)OC(CC)C(CO)C=C(C)C=CC(=O)C(C)CC(CC=O)C(O)C1C

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

• CNP0338747

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

AD49276

Formula: C26H40O8

Smiles:

CCC(=O)OC1CC(=O)OC(CC)C(CO)C=C(C)C=CC(=O)C(C)CC(CC=O)C(O)C1C

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.69
AlogP:	2.94	Num_rotatable_bonds:	6
MolWt:	480.6	Num_heavy_atoms:	34
TPSA:	127.2	NumAromaticRings:	0