Name: Compound N016-0072
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512878
Cas No:-
常用名:Compound N016-0072
IUPAC:6-{[(6aR,6bS,8aS,11S,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-bis(acetyloxy)-5-{[3,4,5-tris(acetyloxy)-6-carboxyoxan-2-yl]oxy}oxane-2-carboxylic acid
IUPAC:6-{[(6aR,6bS,8aS,11S,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-bis(acetyloxy)-5-{[3,4,5-tris(acetyloxy)-6-carboxyoxan-2-yl]oxy}oxane-2-carboxylic acid
InChI key:WRBJTVCSBPOEMQ-YWDDNHCVSA-N

分子式:C52H72O21
分子量:1033.127
氢键供体数 (HBD):3
氢键受体数 (HBA):30
LogP:4.0963
SMILES:CC(=O)OC1C(OC2C(OC3CC[C@@]4(C)C(CC[C@]5(C)C4C(=O)C=C4C6C[C@](C)(CC[C@]6(C)CC[C@@]54C)C(O)=O)C3(C)C)OC(C(OC(C)=O)C2OC(C)=O)C(O)=O)OC(C(OC(C)=O)C1OC(C)=O)C(O)=O |t:24,@@:40|
SMILES:CC(=O)OC1C(OC2C(OC3CC[C@@]4(C)C(CC[C@]5(C)C4C(=O)C=C4C6C[C@](C)(CC[C@]6(C)CC[C@@]54C)C(O)=O)C3(C)C)OC(C(OC(C)=O)C2OC(C)=O)C(O)=O)OC(C(OC(C)=O)C1OC(C)=O)C(O)=O |t:24,@@:40|

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