beta-D-Galactopyranoside, (3beta,16beta,22R,24R)-16,22:16,30:20,24-triepoxy-25-hydroxydammaran-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-
기본 정보
- CAS
146445-94-5- 표준 SMILES
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC45CO7)OC4CC(C(C)(C)O)OC46C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O- InChIKey
UVECFACYEYHBAX-UHFFFAOYSA-N- 분자식
- C42H68O14
- 평균 분자량
- 797 g/mol
- 단동위원소 질량
- 796.46090684
개요
Jujubasaponin VI is a triterpenoid.
이름 및 식별자
- 우선 이름
- beta-D-Galactopyranoside, (3beta,16beta,22R,24R)-16,22:16,30:20,24-triepoxy-25-hydroxydammaran-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-
- IUPAC
- 2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[18-(2-hydroxypropan-2-yl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- 영어명
- β-D-Galactopyranoside, (3β,16β,22R,24R)-16,22:16,30:20,24-triepoxy-25-hydroxydammaran-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
- 분자식
- C42H68O14
- 분자량
- 796.99
이름 및 동의어
146445-94-5RefChem:328961beta-D-Galactopyranoside, (3beta,16beta,22R,24R)-16,22:16,30:20,24-triepoxy-25-hydroxydammaran-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-Jujubasaponin VIorb3024351CHEBI:192901DTXSID001103936TN105702-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[18-(2-hydroxypropan-2-yl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triolI(2)-D-Galactopyranoside, (3I(2),16I(2),22R,24R)-16,22:16,30:20,24-triepoxy-25-hydroxydammaran-3-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-Jujubasaponin Ⅵβ-D-Galactopyranoside, (3β,16β,22R,24R)-16,22:16,30:20,24-triepoxy-25-hydroxydammaran-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
데이터베이스 식별자
- CAS
146445-94-5- PubChem CID
- 73981640
- DTXSID
DTXSID001103936
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 206 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,530
물리화학적 성질
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.85 · 12.85±0.70(Predicted)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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