GD028811

Name:

None

Formula:

C44H76O20N6S

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](OCCCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3[C@@H]4NC(=O)N[C@H]4CS3(=O)=O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:

O=C(CCCCCO)NCCCCCCNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O

Sugarmoiety:

CC(=O)NC1C(OC2C(CO)OC(O)C(NC(C)=O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL1669740

AD05873

Formula: C22H40O6N4S

Smiles:

O=C(CCCCCO)NCCCCCCNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O

HBA:	10	RingCount:	2
HBD:	5	FractionCSP3:	0.86
AlogP:	0.74	Num_rotatable_bonds:	17
MolWt:	488.65	Num_heavy_atoms:	33
TPSA:	153.7	NumAromaticRings:	0