GD147941

Name:

6-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-yl}oxy)oxan-2-yl]methoxy}-4,5-dihydroxy-2-methyloxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula:

C49H70O21

Smiles:

C=CC(C)(CC1=C(C(=C)C)CCC(C)=C1)OC1OC(COC2OC(C)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C2O)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

C=CC(C)(O)CC1=C(C(=C)C)CCC(C)=C1.COc1cc(C=CC(=O)O)ccc1O

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0243695

AD00175

Formula: C10H10O4

Smiles:

COc1cc(C=CC(=O)O)ccc1O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.5	Num_rotatable_bonds:	3
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1

AD46147

Formula: C15H22O

Smiles:

C=CC(C)(O)CC1=C(C(=C)C)CCC(C)=C1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.47
AlogP:	3.93	Num_rotatable_bonds:	4
MolWt:	218.34	Num_heavy_atoms:	16
TPSA:	20.23	NumAromaticRings:	0