우랄사포닌A

우랄사포닌A · uralsaponin A · Glycyrrhezinic acid · (20S)-3β-[(2-O-β-D-Glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-11-oxooleana-12-ene-30-oic acid · (18β)-3β-[2-O-(β-D-Glucopyranuronosyl)-β-D-glucopyranuronosyloxy]-11-oxooleana-12-ene-30-oic acid · 20β-Carboxy-11-oxo-30-norolean-12-en-3β-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid · (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

https://huagongshe.com/ko/chemical/128229

식별자 및 물리적 특성

CAS No.	103000-77-7
분자식	C42H62O16
평균 분자량	822.9 g/mol
단동위원소 질량	822.40378589 g/mol
SMILES	CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIKey	LPLVUJXQOOQHMX-MOGLOQIBSA-N
PubChem CID	128229
현지명	우랄사포닌A

화학 및 물리적 성질

XLogP	3.7
극성 표면적	267
수소 결합 공여자 수	8
수소 결합 수용자 수	16
회전 가능 결합 수	7
무거운 원자 수	58
형식 전하	0
복잡도	1,730
지질	Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
끓는 점	971.4±65.0 °C(Predicted)
밀도	1.43±0.1 g/cm3(Predicted)
pKa(산도 계수)	2.76±0.70(Predicted)