Name: Betulinic acid 3β-O-α-L-rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
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HIT ID:HIT219229050
Cas No:848784-87-2
常用名:Betulinic acid 3β-O-α-L-rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
常用名:Betulinic acid 3β-O-α-L-rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
别名:桦木酸 3β-O-α-L-吡喃鼠李糖基-(1→2)-[β-D-吡喃葡萄糖基-(1→4)]-α-L-阿拉伯糖苷
别名:桦木酸 3β-O-α-L-吡喃鼠李糖基-(1→2)-[β-D-吡喃葡萄糖基-(1→4)]-α-L-阿拉伯糖苷
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[(2S,3R,4S,5S)-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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-{[(2S,3R,4S,5S)-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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:WOOPUJXMROOOPP-KSYIBZFCSA-N

分子式:C47H76O16
分子量:897.109
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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]4OC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[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]4OC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C

Betulinic acid 3β-O-α-L-rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside是一种天然的皂苷，可用于生物化学实验和药物合成研究。

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