GD122685

Name:

2-({3-[3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-5,5'-bis(3-methylbut-2-en-1-yl)-4',6'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-[1,1'-biphenyl]-2,2',6-triyl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C62H80O31

Smiles:

COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1C(c1c(O)c(-c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)c(CC=C(C)C)c3OC3OC(CO)C(O)C(O)C3O)c(O)c(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1O)C(O)C(c1ccc(O)cc1)O2

Aglycone:

COc1cc(O)cc2c1C(c1c(O)c(CC=C(C)C)c(O)c(-c3c(O)cc(O)c(CC=C(C)C)c3O)c1O)C(O)C(c1ccc(O)cc1)O2

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0124916

AD49465

Formula: C38H40O11

Smiles:

COc1cc(O)cc2c1C(c1c(O)c(CC=C(C)C)c(O)c(-c3c(O)cc(O)c(CC=C(C)C)c3O)c1O)C(O)C(c1ccc(O)cc1)O2

HBA:	11	RingCount:	5
HBD:	9	FractionCSP3:	0.26
AlogP:	6.65	Num_rotatable_bonds:	8
MolWt:	672.73	Num_heavy_atoms:	49
TPSA:	200.53	NumAromaticRings:	4