Name: Karaviloside V
Rating: 5 (10 reviews)

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HIT ID:HIT104271065
Cas No:922192-72-1
常用名:Karaviloside V
IUPAC:(2R,3R,4R,5S,6R)-2-{[(3aS,4S,7S,9bS,11aR)-1-[(2S)-3-hydroxy-6-methyl-4-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-4-methoxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4R,5S,6R)-2-{[(3aS,4S,7S,9bS,11aR)-1-[(2S)-3-hydroxy-6-methyl-4-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-4-methoxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:NFGQKKGYMKRYEF-CATOSXSLSA-N

分子式:C43H72O14
分子量:813.035
氢键供体数 (HBD):9
氢键受体数 (HBA):14
LogP:1.471
SMILES:[#6]-[#8]-[#6@H]-1-[#6]=[#6]2-[#6](-[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])C2([#6])[#6])[C@]2([#6])[#6]-[#6][C@]3([#6])[#6](-[#6]-[#6][C@@]3([#6])[#6]-12)-[#6@H](-[#6])-[#6](-[#8])-[#6](-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])\[#6]=[#6](/[#6])-[#6] |c:3|
SMILES:[#6]-[#8]-[#6@H]-1-[#6]=[#6]2-[#6](-[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])C2([#6])[#6])[C@]2([#6])[#6]-[#6][C@]3([#6])[#6](-[#6]-[#6][C@@]3([#6])[#6]-12)-[#6@H](-[#6])-[#6](-[#8])-[#6](-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])\[#6]=[#6](/[#6])-[#6] |c:3|

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