GD156674

Name:

16-(4-hydroxyphenyl)-8-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-9-[4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol

Formula:

C62H52O17

Smiles:

OCC1OC(Oc2ccc(C3c4c(O)cc(O)cc4C4c5c(cc(O)cc5C3C3c5cc(O)cc6c5C(c5cc(O)cc(O)c5C3c3ccc(O)cc3)C(c3ccc(O)cc3)O6)OC4c3ccc(O)cc3)cc2)C(O)C(O)C1O

Aglycone:

Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1

Sugarmoiety:

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

Other Identifiers

• CNP0279755

AD17055

Formula: C56H42O12

Smiles:

Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1

HBA:	12	RingCount:	12
HBD:	10	FractionCSP3:	0.14
AlogP:	10.43	Num_rotatable_bonds:	5
MolWt:	906.94	Num_heavy_atoms:	68
TPSA:	220.76	NumAromaticRings:	8