Name: LupGG
Rating: 5 (10 reviews)

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HIT ID:HIT212697310
Cas No:135757-66-3
常用名:LupGG
别名:Lup-20(29)-en-28-oic-3-O-beta-glucopyranosyl(2-1)-O-beta-glucopyranoside
别名:Lup-20(29)-en-28-oic-3-O-beta-glucopyranosyl(2-1)-O-beta-glucopyranoside
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
InChI key:ANDZVSZQVVZFCT-QQIJCRMXSA-N

分子式:C42H68O13
分子量:780.993
氢键供体数 (HBD):8
氢键受体数 (HBA):13
LogP:3.0980678
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C

Lup-20(29)-en-28-oic-3-O-beta-glucopyranosyl(2-1)-O-beta-glucopyranoside is a betulinic acid glycoside from Schefflera venulosa.

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