GD141020

Name:

2-[(2-{1-[(7-{3,4-dihydroxy-5-[7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-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:

C59H86O21N2

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)ccn(C)c3=O)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)ccn(C)c1=O.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

• CNP0114333

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

AD06047

Formula: C14H15O3N

Smiles:

C=CC=CC=C(C)C(=O)c1c(O)ccn(C)c1=O

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.96	Num_rotatable_bonds:	4
MolWt:	245.28	Num_heavy_atoms:	18
TPSA:	59.3	NumAromaticRings:	1

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