Myxopyroside
HIT213887933
sdf文件结构编辑类似物检索
HIT ID: HIT213887933
Cas No:
分子式: C18H26O13
分子量: 450.393
常用名: Myxopyroside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4,7-dimethyl (1S,4aS,6R,7R)-5,6-dihydroxy-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-4,7-dicarboxylate
IUPAC: 4,7-dimethyl (1S,4aS,6R,7R)-5,6-dihydroxy-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-4,7-dicarboxylate
SMILES: COC(=O)[C@H]1[C@@H](O)C(O)[C@H]2C1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |c:27|
SMILES: COC(=O)[C@H]1[C@@H](O)C(O)[C@H]2C1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |c:27|
InChI key: BSLDUMMCFUUGHA-XKQSADSHSA-N
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