N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,3S,4'S,6S,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
기본 정보
- 표준 SMILES
CC[C@H](C)C1O[C@]2(C=C[C@@H]1C)C[C@@H]1CC(C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2- InChIKey
ZKWQQXZUCOBISE-ZXVMXAFQSA-N- 분자식
- C50H75NO14
- 평균 분자량
- 914.1 g/mol
이름 및 식별자
- 우선 이름
- N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,3S,4'S,6S,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
- IUPAC
- N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,3S,4'S,6S,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
이름 및 동의어
ZKWQQXZUCOBISE-ZXVMXAFQSA-N
데이터베이스 식별자
- PubChem CID
- 70689338
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 179 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,850
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