Name: Evorine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT101735357
Cas No:33540-08-8
常用名:Evorine
IUPAC:[(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-18,19,21-tris(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
IUPAC:[(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-18,19,21-tris(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
InChI key:GARAEILXWIXANX-PWAFXCAHSA-N

分子式:C34H41NO16
分子量:719.693
氢键供体数 (HBD):2
氢键受体数 (HBA):11
LogP:-0.527
SMILES:C[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]4[C@@H](O)[C@]3(O[C@@]4(C)COC(=O)c3cccnc13)[C@@]2(C)O |TLB:33:32:18.29.24:36.35|
SMILES:C[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]4[C@@H](O)[C@]3(O[C@@]4(C)COC(=O)c3cccnc13)[C@@]2(C)O |TLB:33:32:18.29.24:36.35|

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