GD128719

Name:

methyl 5-hydroxy-5-[hydroxy({[10-(methoxycarbonyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-5-ylidene]methoxy})methyl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-ene-10-carboxylate

Formula:

C34H44O23

Smiles:

COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(=COC(O)C3(O)C4OC4C4C(C(=O)OC)=COC(OC5OC(CO)C(O)C(O)C5O)C43)C3OC3C12

Aglycone:

COC(=O)C1=COC(O)C2C(=COC(O)C3(O)C4OC4C4C(C(=O)OC)=COC(O)C43)C3OC3C12

Sugarmoiety:

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

Other Identifiers

• CNP0277998

AD52139

Formula: C22H24O13

Smiles:

COC(=O)C1=COC(O)C2C(=COC(O)C3(O)C4OC4C4C(C(=O)OC)=COC(O)C43)C3OC3C12

HBA:	13	RingCount:	6
HBD:	4	FractionCSP3:	0.64
AlogP:	-2.23	Num_rotatable_bonds:	5
MolWt:	496.42	Num_heavy_atoms:	35
TPSA:	186.27	NumAromaticRings:	0