Name: Cucurbitacin B 2-O-beta-D-glucoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314493
Cas No:65247-27-0
常用名:Cucurbitacin B 2-O-beta-D-glucoside
常用名:Cucurbitacin B 2-O-beta-D-glucoside
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,8S,9aR,9bR,11aR)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,8S,9aR,9bR,11aR)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
InChI key:PQOVWWZVVIGRPP-BBANTJNRSA-N

分子式:C38H56O13
分子量:720.853
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O |c:10|
SMILES:[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O |c:10|

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