GD004725

Name:

None

Formula:

C60H93O22N19S2

Smiles:

CCC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@H](NC(=O)[C@H](C)C(O)C(C)NC(=O)[C@H](NC(=O)c3nc([C@H](CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@H]3O)c3c[nH]cn3)[C@H](C)O)n2)n1

Aglycone:

CCC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3085201

AD04086

Formula: C47H72O11N18S2

Smiles:

CCC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1

HBA:	29	RingCount:	4
HBD:	20	FractionCSP3:	0.55
AlogP:	-3.44	Num_rotatable_bonds:	34
MolWt:	1129.34	Num_heavy_atoms:	78
TPSA:	477.81	NumAromaticRings:	4