苦绳甙G
Dregeoside Ga1
Dregeoside Ga1, Butanoic acid, 3-methyl-, (3β,11α,12β,14β,20R)-11-(acetyloxy)-3-[[O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-
 O-methyl-β-D-ribo-hexopyranosyl]oxy]-14,20-dihydroxypregn-5-en-12-yl ester, (3β,11α,12β,14β,20R)-11-Acetoxy-3-{[6-deoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl 
]oxy}-14,20-dihydroxypregn-5-en-12-yl 3-methylbutanoate
CAS号: 98665-66-8
IUPAC名称: [(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
分子式: C49H80O17
分子量: 941.149
InChI: InChI=1S/C49H80O17/c1-23(2)19-35(52)64-45-43(62-28(7)51)38-32(49(55)18-16-31(24(3)50)48(45,49)9)14-13-29-20-30(15-17-47(29,38)8)63-36-21-33(56-10)41(26(5)59-36)65-37-22-34(57-11)42(27(6)60-37)66-46-40(54)44(58-12)39(53)25(4)61-46/h13,23-27,30-34,36-46,50,53-55H,14-22H2,1-12H3/t24-,25-,26-,27-,30+,31-,32-,33+,34+,36+,37+,38-,39-,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+/m1/s1
InChIKey: LLIYLAIGJSAESV-DTLISDEOSA-N
SMILES: C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@H]4CC[C@@]5([C@@H]6[C@@H](CC=C5C4)[C@]7(CC[C@@H]([C@]7([C@@H]([C@H]6OC(=O)C)OC(=O)CC(C)C)C)[C@@H](C)O)O)C)C)C)O)OC)O
EINECS: -
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