GD130626

Name:

l-cinerulose-2-deoxy-l-fucose-2-deoxy-l-fucose-beta-rhodomycinone

Formula:

C38H48O16

Smiles:

CCC1(O)CC(OC2CC(O)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1O

Aglycone:

CC1OC(O)CCC1=O.CCC1(O)CC(O)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1O

Sugarmoiety:

CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O

Other Identifiers

• CNP0430666

AD00014

Formula: C6H10O3

Smiles:

CC1OC(O)CCC1=O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.83
AlogP:	0.07	Num_rotatable_bonds:	0
MolWt:	130.14	Num_heavy_atoms:	9
TPSA:	46.53	NumAromaticRings:	0

AD48740

Formula: C20H20O8

Smiles:

CCC1(O)CC(O)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1O

HBA:	8	RingCount:	4
HBD:	6	FractionCSP3:	0.4
AlogP:	0.91	Num_rotatable_bonds:	1
MolWt:	388.37	Num_heavy_atoms:	28
TPSA:	155.52	NumAromaticRings:	1