기본 정보
- 표준 SMILES
CO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12- InChIKey
SQGCPGUUCGINMK-RWVJRPFNSA-N- 분자식
- C37H62O8
- 평균 분자량
- 634.9 g/mol
- 단동위원소 질량
- 634.44446894
개요
Karaviloside III has been reported in Momordica charantia with data available.
이름 및 식별자
- 우선 이름
- Karaviloside III
- IUPAC
- (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
이름 및 동의어
Karaviloside III(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(((3S,7S,8R,9S,10S,13R,14S,17R)-17-((E,2R)-6-hydroxy-6-methylhept-4-en-2-yl)-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)oxane-3,4,5-triol(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triolRefChem:150959922192-70-9CHEMBL2335924SCHEMBL29711929
데이터베이스 식별자
- ChEMBL
CHEMBL2335924- Nikkaji
- J2.381.818C
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,130
관련 반응
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