Tubuloside E
HIT219228838
sdf文件结构编辑类似物检索
HIT ID: HIT219228838
Cas No: 130756-25-1
分子式: C31H38O15
分子量: 650.63
常用名: Tubuloside E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC: (2R,3R,4S,5R,6R)-5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)cc3)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2OC(C)=O)[C@H](O)[C@H](O)[C@H]1O
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)cc3)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2OC(C)=O)[C@H](O)[C@H](O)[C@H]1O
InChI key: XWAGWSCLKIGRPW-RHHHWDBBSA-N
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