GD008948

Name:

None

Formula:

C64H93O22N19S2

Smiles:

Cc1c(N)nc([C@H](CC(N)=O)NCC(N)C(N)=O)nc1C(=O)N[C@H](C(=O)NC(C)C(O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)c3ccccc3)cs2)cs1)[C@H](C)O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@H]1O)c1c[nH]cn1

Aglycone:

Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)c3ccccc3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1

Sugarmoiety:

NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

• CHEMBL3085204

AD07079

Formula: C51H72O11N18S2

Smiles:

Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)c3ccccc3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1

HBA:	29	RingCount:	5
HBD:	20	FractionCSP3:	0.47
AlogP:	-2.53	Num_rotatable_bonds:	34
MolWt:	1177.39	Num_heavy_atoms:	82
TPSA:	477.81	NumAromaticRings:	5