GD034768

Name:

None

Formula:

C103H120O29N17F3Cl2S

Smiles:

CN[C@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(NCc3ccc(NC(=O)c4ccc(C5(C(F)(F)F)N=N5)cc4)nc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:

CC1OC(O)CC(C)(NCc2ccc(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)nc2)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC4SCC5NC(=O)NC54)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3218300

AD22064

Formula: C22H24O4N5F3

Smiles:

CC1OC(O)CC(C)(NCc2ccc(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)nc2)C1O

HBA:	9	RingCount:	4
HBD:	4	FractionCSP3:	0.45
AlogP:	2.85	Num_rotatable_bonds:	6
MolWt:	479.46	Num_heavy_atoms:	34
TPSA:	128.43	NumAromaticRings:	2

AD22065

Formula: C75H88O21N12Cl2S

Smiles:

CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC4SCC5NC(=O)NC54)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

HBA:	33	RingCount:	12
HBD:	19	FractionCSP3:	0.45
AlogP:	3.1	Num_rotatable_bonds:	27
MolWt:	1572.54	Num_heavy_atoms:	109
TPSA:	496.58	NumAromaticRings:	5