GD004397

Name:

None

Formula:

C48H78O19N14

Smiles:

CC(C)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL246364

AD03847

Formula: C36H58O9N14

Smiles:

CC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O

HBA:	23	RingCount:	2
HBD:	19	FractionCSP3:	0.53
AlogP:	-3.7	Num_rotatable_bonds:	25
MolWt:	830.95	Num_heavy_atoms:	59
TPSA:	401.76	NumAromaticRings:	2