GD020817

Name:

None

Formula:

C54H66O22N4

Smiles:

CC1(C)O[C@H]2[C@H](c3c4nc(c(OC[C@@H]5O[C@H](O)[C@H](O)[C@H](O)[C@H]5O)c5ccc([nH]5)c([C@@H]5O[C@@H]6OC(C)(C)O[C@H]6[C@@H]6OC(C)(C)O[C@@H]56)c5nc(c(OC[C@@H]6O[C@H](O)[C@H](O)[C@H](O)[C@H]6O)c6ccc3[nH]6)C=C5)C=C4)O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1

Aglycone:

COc1c2nc(c(C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)c3ccc([nH]3)c(OC)c3nc(c(C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)c4ccc1[nH]4)C=C3)C=C2

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3220980

AD14313

Formula: C44H50O12N4

Smiles:

COc1c2nc(c(C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)c3ccc([nH]3)c(OC)c3nc(c(C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)c4ccc1[nH]4)C=C3)C=C2

HBA:	16	RingCount:	11
HBD:	2	FractionCSP3:	0.55
AlogP:	6.81	Num_rotatable_bonds:	4
MolWt:	826.9	Num_heavy_atoms:	60
TPSA:	168.12	NumAromaticRings:	3