기본 정보
- CAS
173740-43-7- 표준 SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QFSDWLPMRWDFID-CSNYLUTCSA-N- 분자식
- C33H40O20
- 평균 분자량
- 756.7 g/mol
- 단동위원소 질량
- 756.21129366
개요
Kaempferol 3-O-gentiobioside-7-O-rhamnoside is a glycosyloxyflavone that is kaempferol having gentiobiosyl and alpha-L-rhamnosyl residues attached at positions O-3 and O-7 respectively. It has a role as a plant metabolite. It is a gentiobioside, a polyphenol, an alpha-L-rhamnoside, a dihydroxyflavone, a glycosyloxyflavone and a disaccharide derivative. It is functionally related to a kaempferol.
이름 및 식별자
- 우선 이름
- 3-O-beta-D-Glucosyl-(1->6)-beta-D-glucosyl-7-O-alpha-L-rhamnosylkaempferol
- IUPAC
- 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
이름 및 동의어
DTXSID701175980173740-43-7RefChem:1068369DTXCID4016073543-O-beta-D-Glucosyl-(1->6)-beta-D-glucosyl-7-O-alpha-L-rhamnosylkaempferolKaempferol 3-gentiobioside-7-rhamnoside7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosideKaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnosideSCHEMBL30106662CHEBI:133218Kaempferol 3-coumaroyl-triglucosideLMPK12111762
이름 더 보기
kaempferol 3-O-gentiobioside-7-O-rhamnosidekaempferol 3-O-glucosyl(1->6)glucoside-7-O-rhamnosidekaempferol-3-O-beta-gentiobioside-7-O-alpha-L-rhamnosidekaempferol-3-O-[glucopyranosyl(1-6)glucopyranoside]-7-O-rhamnopyranoside3-O-I(2)-D-Glucosyl-(1a6)-I(2)-D-glucosyl-7-O-I+/--L-rhamnosylkaempferol5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 324 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,280
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
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