6-Epiharpagoside
HIT214315640
sdf文件结构编辑类似物检索
HIT ID: HIT214315640
Cas No: 1151862-67-7
分子式: C24H30O11
分子量: 494.493
常用名: 6-Epiharpagoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4aS,5S,7S,7aS)-4a,5-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl (2E)-3-phenylprop-2-enoate
IUPAC: (1S,4aS,5S,7S,7aS)-4a,5-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl (2E)-3-phenylprop-2-enoate
SMILES: [H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]1(O)[C@@H](O)C[C@]2(C)OC(=O)\C=C\c1ccccc1 |c:17|
SMILES: [H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]1(O)[C@@H](O)C[C@]2(C)OC(=O)\C=C\c1ccccc1 |c:17|
InChI key: KVRQGMOSZKPBNS-PIMRTDLFSA-N
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