GD029382

Name:

None

Formula:

C126H214O50N30

Smiles:

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)CCCC(C)=O)[C@H](C)O)C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C)[C@H](C)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]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](C)CC)[C@H](C)O)[C@H](C)O)[C@H](C)CC

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)CCCC(C)=O)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(N)=O)C(C)C)C(C)O)C(C)CC)C(C)O)C(C)O)C(C)CC

Sugarmoiety:

CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL4543979

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD05261

Formula: C95H164O27N28

Smiles:

CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)CCCC(C)=O)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(N)=O)C(C)C)C(C)O)C(C)CC)C(C)O)C(C)O)C(C)CC

HBA:	55	RingCount:	3
HBD:	34	FractionCSP3:	0.74
AlogP:	-9.34	Num_rotatable_bonds:	66
MolWt:	2130.53	Num_heavy_atoms:	150
TPSA:	877.59	NumAromaticRings:	0