GD003501

Name:

None

Formula:

C19H30O17P2

Smiles:

CC(=O)OC[C@@H]1O[C@H](OCC(C)=CCOP(=O)(O)OP(=O)(O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=CCOP(=O)(O)OP(=O)(O)O)CO.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1946071

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

AD03185

Formula: C5H12O8P2

Smiles:

CC(=CCOP(=O)(O)OP(=O)(O)O)CO

HBA:	8	RingCount:	0
HBD:	4	FractionCSP3:	0.6
AlogP:	0.15	Num_rotatable_bonds:	6
MolWt:	262.09	Num_heavy_atoms:	15
TPSA:	133.52	NumAromaticRings:	0