GD006685

Name:

None

Formula:

C48H83O16N11

Smiles:

CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCNC(=N)N1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:

CCCCCCCCCCCCCCCC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1780218
• CHEMBL1780219
• CHEMBL1934086
• CHEMBL1934087

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD05500

Formula: C35H66O8N8

Smiles:

CCCCCCCCCCCCCCCC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O

HBA:	16	RingCount:	1
HBD:	11	FractionCSP3:	0.83
AlogP:	2.16	Num_rotatable_bonds:	29
MolWt:	726.96	Num_heavy_atoms:	51
TPSA:	254.1	NumAromaticRings:	0