GD125837

Name:

Caminoside B

Formula:

C51H90O22

Smiles:

CCCCCCCCCC(CCCCCCCC(C)=O)OC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC(=O)CCC)C(OC(=O)CCC)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CCCC(=O)O.CCCC(=O)O.CCCCCCCCCC(O)CCCCCCCC(C)=O

Sugarmoiety:

CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0403370

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD02100

Formula: C19H38O2

Smiles:

CCCCCCCCCC(O)CCCCCCCC(C)=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.95
AlogP:	5.81	Num_rotatable_bonds:	16
MolWt:	298.51	Num_heavy_atoms:	21
TPSA:	37.3	NumAromaticRings:	0