Coatline B
HIT103541673
sdf文件结构编辑类似物检索
HIT ID: HIT103541673
Cas No: 87441-89-2
分子式: C21H24O11
分子量: 452.412
常用名: Coatline B
氢键受体数 (HBA): 11
氢键供体数 (HBD): 9
LogP: -0.383
IUPAC: (2R)-1-{2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
IUPAC: (2R)-1-{2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)[C@H](O)Cc2ccc(O)c(O)c2)c1O
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)[C@H](O)Cc2ccc(O)c(O)c2)c1O
InChI key: LNVWGAALAQOWHF-IUOSPEFCSA-N
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