Name: 6″-O-Acetylsaikosaponin b3
Rating: 5 (10 reviews)

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HIT ID:HIT214317113
Cas No:104109-34-4
常用名:6″-O-Acetylsaikosaponin b3
别名:6″-O-乙酰基柴胡皂苷b3
IUPAC:[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
IUPAC:[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
InChI key:YWFIVTGCHSKNBH-USPJHGJQSA-N

分子式:C45H74O15
分子量:855.072
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@]1(C)C2=C[C@@H](OC)[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C |t:18|
SMILES:[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@]1(C)C2=C[C@@H](OC)[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C |t:18|

6″-O-Acetylsaikosaponin b3 是一种天然产物，可用于生命科学领域的相关研究。其产品编号为 TN5968，CAS号为 104109-34-4。

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