名称: N-[(2R,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILES:
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O分子加工
分子式
C14H25NO11
分子量
383.35
精确质量
383.1428
XLogP
-5.25
TPSA
198.4
氢键给体数
8
氢键受体数
11
可旋转键
5
重原子数
26
环数
2
芳香环
0
饱和环
2
脂环
2
立体中心
10
未定义立体
0
形式电荷
0
杂原子数
12
共价单元
1
sp3占比
0.929
摩尔折射率
80.22
补充信息
InChIKey: HMQPEDMEOBLSQB-LODBTCKLSA-N
同义词
beta-D-Galp-(1->3)-beta-D-GlcpNAcCHEBI:61246beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoseRefChem:937102GlyTouCan:G00056MOG00056MOGalbeta1-3GIcNAcbetaLe(c)betaGal(1-3)betaGIcNAcbeta-D-Gal-(1->3)-beta-D-GlcNAcbeta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucose2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranoseGalb1-3GlcNAcbEpitope ID:143794betaGal(1->3)betaGlcNAcCHEMBL469451SCHEMBL29401541CHEBI:133506HMQPEDMEOBLSQB-LODBTCKLSA-Nbeta-D-Gal-(1->3)-beta-D-GlcNAc-ORQ27130925beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminidea beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl derivative
参与 3 个反应→