GD014385

Name:

CAMINOSIDE B PERACETATE

Formula:

C68H108O30

Smiles:

CCCCCCCCC[C@H](CCCCCCCC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OCCC)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O

Aglycone:

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

Sugarmoiety:

CCCOC1C(COC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1O

Other Identifiers

• CHEMBL1162985

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

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