GD038230

Name:

(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Formula:

C24H39O14N5

Smiles:

CC(=O)N[C@@H]1[C@@H](O)C[C@@](C(=O)O)(n2cc(CCC(=O)NCC[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)nn2)O[C@H]1[C@@H](O)[C@@H](O)CO

Aglycone:

CCNC(=O)CCc1cn(C2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)nn1

Sugarmoiety:

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

Other Identifiers

• 7BN
• 7BO

AD23921

Formula: C18H29O9N5

Smiles:

CCNC(=O)CCc1cn(C2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)nn1

HBA:	14	RingCount:	2
HBD:	7	FractionCSP3:	0.72
AlogP:	-3.55	Num_rotatable_bonds:	10
MolWt:	459.46	Num_heavy_atoms:	32
TPSA:	216.36	NumAromaticRings:	1