10-O-trans-p-coumaroylscandoside
HIT214312642
sdf文件结构编辑类似物检索
HIT ID: HIT214312642
Cas No: 870785-25-4
分子式: C25H28O13
分子量: 536.486
常用名: 10-O-trans-p-coumaroylscandoside
常用名: 10-O-trans-p-coumaroylscandoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4aS,5R,7aS)-5-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid
IUPAC: (1S,4aS,5R,7aS)-5-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3[C@H](O)C=C(COC(=O)\C=C\c4ccc(O)cc4)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:13|
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3[C@H](O)C=C(COC(=O)\C=C\c4ccc(O)cc4)[C@@H]23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:13|
InChI key: AENHXJZDACLRQM-RCQKOXAXSA-N
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