GD121027

Name:

{[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}({5-[(5-{[3-(3-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-3-hydroxypropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-3,4-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl}oxy)phosphinic acid

Formula:

C44H79O35P

Smiles:

COC1OC(CO)C(OC(O)CCOC2C(OC3C(COC4OC(CO)C(OC)C(O)C4O)OC(OC4C(CO)OC(C)C(OP(=O)(O)OC5C(CO)OC(OC)C(O)C5O)C4O)C(O)C3O)OC(CO)C(OC)C2O)C(O)C1O

Aglycone:

O=P(O)(O)O.OCCC(O)O

Sugarmoiety:

COC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2O)C(O)C1O.COC1OC(CO)C(O)C(O)C1O.COC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0140115

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

AD48678

Formula: C3H8O3

Smiles:

OCCC(O)O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.32	Num_rotatable_bonds:	2
MolWt:	92.09	Num_heavy_atoms:	6
TPSA:	60.69	NumAromaticRings:	0