GD140651

Name:

1,8-bis({2-[3-ethenyl-5-({2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethoxy}carbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethyl}) 2,6-dimethylocta-2,6-dienedioate

Formula:

C76H106O40

Smiles:

C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)OCCC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C

Aglycone:

C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C(C=C)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)OCCC2C(C(=O)OC)=COC(O)C2C=C)=COC(O)C1C=C

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

• CNP0394271

AD56706

Formula: C52H66O20

Smiles:

C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C(C=C)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)OCCC2C(C(=O)OC)=COC(O)C2C=C)=COC(O)C1C=C

HBA:	20	RingCount:	4
HBD:	4	FractionCSP3:	0.5
AlogP:	4.34	Num_rotatable_bonds:	25
MolWt:	1011.08	Num_heavy_atoms:	72
TPSA:	275.64	NumAromaticRings:	0