GD021369

Name:

CAMINOSIDE D PERACETATE

Formula:

C71H116O29

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](OCCCC)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OCCCC)[C@H]1OC(C)=O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC3C(O)OC(O)C(OC(C)=O)C3OC(C)=O)OC(COC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(OC(C)=O)C1O

Other Identifiers

• CHEMBL500244

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

AD00936

Formula: C4H10O

Smiles:

CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.78	Num_rotatable_bonds:	2
MolWt:	74.12	Num_heavy_atoms:	5
TPSA:	20.23	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