GD014280

Name:

None

Formula:

C113H209O41N7S4

Smiles:

CCCCCCCCC=CCCCCCCCCOCC(COCCOCCOCCOCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)COCCOCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)COCCOCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)C(CCCCNC(=O)COCCOCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)COCCOCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OCCCCCCCCC=CCCCCCCCC

Aglycone:

CCCCCCCCC=CCCCCCCCCOCC(COCCOCCOCCOCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)COCCOCCS)NC(=O)COCCOCCS)NC(=O)C(CCCCNC(=O)COCCOCCS)NC(=O)COCCOCCS)OCCCCCCCCC=CCCCCCCCC

Sugarmoiety:

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

Other Identifiers

• CHEMBL3142540

AD10523

Formula: C89H169O21N7S4

Smiles:

CCCCCCCCC=CCCCCCCCCOCC(COCCOCCOCCOCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)COCCOCCS)NC(=O)COCCOCCS)NC(=O)C(CCCCNC(=O)COCCOCCS)NC(=O)COCCOCCS)OCCCCCCCCC=CCCCCCCCC

HBA:	28	RingCount:	0
HBD:	7	FractionCSP3:	0.88
AlogP:	11.81	Num_rotatable_bonds:	98
MolWt:	1801.63	Num_heavy_atoms:	121
TPSA:	332.92	NumAromaticRings:	0