Esculeoside B

기본 정보

표준 SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]2(O)C[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN[C@@H]12
InChIKey: VEGRZKJXOJWSKN-BIINKXCNSA-N
분자식: C56H93NO28
평균 분자량: 1,228.3 g/mol
단동위원소 질량: 1,227.58841134

우선 이름: Esculeoside B
IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20S,22R,24S)-7-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-hydroxy-10,14,16-trimethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-20-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Esculeoside BSCHEMBL30095993

불러오는 중…

표준 SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]2(O)C[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN[C@@H]12
InChIKey: VEGRZKJXOJWSKN-BIINKXCNSA-N
분자식: C56H93NO28
평균 분자량: 1,228.3 g/mol
단동위원소 질량: 1,227.58841134

우선 이름: Esculeoside B
IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20S,22R,24S)-7-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-hydroxy-10,14,16-trimethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-20-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Esculeoside BSCHEMBL30095993

불러오는 중…