Cucumarioside G1 | CAS 81296-42-6

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HIT ID:HIT214320488
Cas No:81296-42-6
常用名:Cucumarioside G1
IUPAC:(6-{[4-(acetyloxy)-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-en-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-16-yl]oxy}-5-{[5-({4-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxyoxan-3-yl)oxidanesulfonic acid sodium
IUPAC:(6-{[4-(acetyloxy)-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-en-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-16-yl]oxy}-5-{[5-({4-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxyoxan-3-yl)oxidanesulfonic acid sodium
InChI key:WPHSNTUPWQCDQA-UHFFFAOYSA-N

分子式:C55H86NaO25S
分子量:1202.32
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na;v0].[#6]-[#8]-[#6]-1-[#6](-[#8])-[#6]-[#8]-[#6](-[#8]-[#6]-2-[#6](-[#8])-[#6](-[#6]-[#8])-[#8]-[#6](-[#8]-[#6]-3-[#6](-[#6])-[#8]-[#6](-[#8]-[#6]-4-[#6](-[#8])-[#6](-[#6]-[#8]-[#6]-4-[#8]-[#6]4-[#6]-[#6]C5([#6])[#6]-6-[#6]-[#6]C78[#6](-[#6](-[#6]C7([#6])[#6]-6=[#6]-[#6]-[#6]5C4([#6])[#6])-[#8]-[#6](-[#6])=O)C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6]8=O)-[#8]S([#8])(=O)=O)-[#6](-[#8])-[#6]-3-[#8])-[#6]-2-[#8])-[#6]-1-[#8] |c:49|
SMILES:[Na;v0].[#6]-[#8]-[#6]-1-[#6](-[#8])-[#6]-[#8]-[#6](-[#8]-[#6]-2-[#6](-[#8])-[#6](-[#6]-[#8])-[#8]-[#6](-[#8]-[#6]-3-[#6](-[#6])-[#8]-[#6](-[#8]-[#6]-4-[#6](-[#8])-[#6](-[#6]-[#8]-[#6]-4-[#8]-[#6]4-[#6]-[#6]C5([#6])[#6]-6-[#6]-[#6]C78[#6](-[#6](-[#6]C7([#6])[#6]-6=[#6]-[#6]-[#6]5C4([#6])[#6])-[#8]-[#6](-[#6])=O)C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6]8=O)-[#8]S([#8])(=O)=O)-[#6](-[#8])-[#6]-3-[#8])-[#6]-2-[#8])-[#6]-1-[#8] |c:49|

Cucumarioside G1 is a triterpene glycoside of holothurian from Cucumaria fraudatrix.

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