GD131368

Name:

2-[(2-{1-[(7-{5-[7-(2,4-dihydroxypyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]-3,4-dihydroxyoxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl)-C-hydroxycarbonimidoyl]propyl}-2,3-dihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-4-yl)oxy]-3-hydroxy-5-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-6-methyloxane-4-carboxylic acid

Formula:

C58H84O21N2

Smiles:

CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccnc3O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(C(=O)O)C2O)C1(C)C

Aglycone:

C=CC=CC.C=CC=CC=C(C)C(=O)c1c(O)ccnc1O.CCCC(O)=NCC=CC=C(C)C(CC)OC

Sugarmoiety:

CO.COC1C(C)OC(OC2C(C)OC(OC3C(O)C(O)(O)OOC3(C)C)C(O)C2C(=O)O)C(OC)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CNP0312330

AD00163

Formula: C5H8

Smiles:

C=CC=CC

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.2
AlogP:	1.75	Num_rotatable_bonds:	1
MolWt:	68.12	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD45642

Formula: C14H25O2N

Smiles:

CCCC(O)=NCC=CC=C(C)C(CC)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.64
AlogP:	3.67	Num_rotatable_bonds:	8
MolWt:	239.36	Num_heavy_atoms:	17
TPSA:	41.82	NumAromaticRings:	0

AD48655

Formula: C13H13O3N

Smiles:

C=CC=CC=C(C)C(=O)c1c(O)ccnc1O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.08
AlogP:	2.36	Num_rotatable_bonds:	4
MolWt:	231.25	Num_heavy_atoms:	17
TPSA:	70.42	NumAromaticRings:	1