GD027371

Name:

None

Formula:

C39H62O14

Smiles:

C=CCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC(=O)CCCCCCCCC=C

Aglycone:

C=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=C.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3759996

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

AD12916

Formula: C25H44O5

Smiles:

C=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=C

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.76
AlogP:	6.05	Num_rotatable_bonds:	22
MolWt:	424.62	Num_heavy_atoms:	30
TPSA:	72.83	NumAromaticRings:	0