GD126129

Name:

{6-[(2-{[6-({5-azaniumyl-6-[(2-{[(2,3-di{[(tetradecyloxy)carbonyl]oxy}propoxy)(oxido)phosphoryl]oxy}-3,4,5,6-tetrahydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-azaniumylethyl phosphate

Formula:

C77H142O47N2P2

Smiles:

CCCCCCCCCCCCCCOC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(COP(=O)(O)OCCN)C(O)C(O)C3O)C(O)C(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1N)OC(=O)OCCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCCOC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)OCCCCCCCCCCCCCC.COP(=O)(O)OCCN

Sugarmoiety:

NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(O)C(O)C(O)C3O)C(O)C(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0410811

AD22626

Formula: C3H10O4NP

Smiles:

COP(=O)(O)OCCN

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.29	Num_rotatable_bonds:	4
MolWt:	155.09	Num_heavy_atoms:	9
TPSA:	81.78	NumAromaticRings:	0

AD51018

Formula: C39H75O15P

Smiles:

CCCCCCCCCCCCCCOC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)OCCCCCCCCCCCCCC

HBA:	15	RingCount:	1
HBD:	6	FractionCSP3:	0.95
AlogP:	7.38	Num_rotatable_bonds:	34
MolWt:	814.99	Num_heavy_atoms:	55
TPSA:	227.97	NumAromaticRings:	0