GD152501

Name:

1'-[(6-O-Mycoloyl-Beta-D-Glucopyranosyl)

Formula:

C106H180O11

Smiles:

CCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCCC(C)C=CCCCCCCCCCCCCCC(=O)O

Aglycone:

CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C.CCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCCCC(C)C=CCCCCCCCCCCCCCC(=O)O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0353388

AD48371

Formula: C40H56O2

Smiles:

CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.42
AlogP:	11.15	Num_rotatable_bonds:	14
MolWt:	568.89	Num_heavy_atoms:	42
TPSA:	37.3	NumAromaticRings:	0

AD60718

Formula: C61H118O5

Smiles:

CCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCCCC(C)C=CCCCCCCCCCCCCCC(=O)O

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.93
AlogP:	20.33	Num_rotatable_bonds:	56
MolWt:	931.61	Num_heavy_atoms:	66
TPSA:	83.83	NumAromaticRings:	0