GD117654

Name:

2-{[6,14-dihydroxy-8,16-bis(4-hydroxyphenyl)-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C40H42O16

Smiles:

OCC1OC(Oc2cc(O)c3c(c2)C2C(c4ccc(O)cc4)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4C2C3c2ccc(O)cc2)C(O)C(O)C1O

Aglycone:

Oc1ccc(C2c3c(O)cc(O)cc3C3C(c4ccc(O)cc4)c4c(O)cc(O)cc4C23)cc1

Sugarmoiety:

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

Other Identifiers

• CNP0314919

AD46942

Formula: C28H22O6

Smiles:

Oc1ccc(C2c3c(O)cc(O)cc3C3C(c4ccc(O)cc4)c4c(O)cc(O)cc4C23)cc1

HBA:	6	RingCount:	6
HBD:	6	FractionCSP3:	0.14
AlogP:	5.08	Num_rotatable_bonds:	2
MolWt:	454.48	Num_heavy_atoms:	34
TPSA:	121.38	NumAromaticRings:	4