GD026081

Name:

None

Formula:

C48H80O18N12

Smiles:

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)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:

CCC(C)C(NC(=O)C1CCCN1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCCNC(=N)N)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

• CHEMBL397847

AD17218

Formula: C36H60O8N12

Smiles:

CCC(C)C(NC(=O)C1CCCN1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O

HBA:	20	RingCount:	2
HBD:	16	FractionCSP3:	0.61
AlogP:	-2.56	Num_rotatable_bonds:	24
MolWt:	788.95	Num_heavy_atoms:	56
TPSA:	338.86	NumAromaticRings:	1