GD009500

Name:

None

Formula:

C62H43O15N4F17S3

Smiles:

OC[C@@H]1O[C@H](Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(S)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

Sugarmoiety:

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

Other Identifiers

• CHEMBL579769

AD07443

Formula: C44H13N4F17S3

Smiles:

Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(S)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

HBA:	4	RingCount:	9
HBD:	2	FractionCSP3:	0.0
AlogP:	14.55	Num_rotatable_bonds:	4
MolWt:	1016.78	Num_heavy_atoms:	68
TPSA:	57.36	NumAromaticRings:	7