(25R)-3β,17α-dihydroxy-5α- spirostan-6-one3-O-α-L- rhamnopyranosyl-(1→2)-β- D-glucopyranoside
HIT214313470
sdf文件结构编辑类似物检索
HIT ID: HIT214313470
Cas No: 143051-94-9
分子式: C39H62O14
分子量: 754.911
常用名: (25R)-3β,17α-dihydroxy-5α- spirostan-6-one3-O-α-L- rhamnopyranosyl-(1→2)-β- D-glucopyranoside
常用名: (25R)-3β,17α-dihydroxy-5α- spirostan-6-one3-O-α-L- rhamnopyranosyl-(1→2)-β- D-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,18'S)-16'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-8'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-19'-one
IUPAC: (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,18'S)-16'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-8'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-19'-one
SMILES: C[C@@H]1[C@@]2(CC[C@@H](C)CO2)O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]12O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
SMILES: C[C@@H]1[C@@]2(CC[C@@H](C)CO2)O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]12O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI key: YUEKLGTXAIEKQP-YEPAZZDDSA-N
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