GD130542

Name:

6-({6-[(acetyloxy)methyl]-2-[(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-(phosphanyloxy)oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-(phosphanylmethyl)oxan-4-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3-({2-carboxy-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-4,5-dihydroxyoxane-2-carboxylic acid

Formula:

C36H58O29P2

Smiles:

CC(=O)OCC1OC(OC2C(O)C(CP)OC(CO)C2OC2OC(CO)C(OP)C(O)C2O)C(OC2OC(C(=O)O)C(OC3OC4COC(C)(C(=O)O)OC4C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1.COC(C)=O

Sugarmoiety:

O=C(O)C1OC(OC2C(OC3C(O)C(CP)OC(CO)C3OC3OC(CO)C(OP)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0113656

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

AD23779

Formula: C9H14O8

Smiles:

CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1

HBA:	8	RingCount:	2
HBD:	4	FractionCSP3:	0.89
AlogP:	-2.36	Num_rotatable_bonds:	1
MolWt:	250.2	Num_heavy_atoms:	17
TPSA:	125.68	NumAromaticRings:	0