GD129939

Name:

18-Dihydrojosamycin

Formula:

C42H71O15N

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCO)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0424859

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

AD52643

Formula: C22H36O8

Smiles:

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

HBA:	8	RingCount:	1
HBD:	3	FractionCSP3:	0.73
AlogP:	1.52	Num_rotatable_bonds:	4
MolWt:	428.52	Num_heavy_atoms:	30
TPSA:	122.52	NumAromaticRings:	0