Basic information
- CAS
68027-14-5- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
OTQUUEGQKWTQTA-FSPLGDHVSA-N- Molecular formula
- C65H106O31
- Average molar mass
- 1,383.5 g/mol
- Monoisotopic mass
- 1,382.6718066
Names & identifiers
- Preferred name
- Pulsatilla saponin H
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- English name
- V
- Molecular formula
- C65H106O31
- Molecular weight
- 1383.52
Names & synonyms
Pulsatilla saponin Horb1297226DTXSID301315861HY-N6068TN2119AKOS040760657CS-00323013-O-D-glucopyranosyl(1-->4)-[L-rhamnopyranosyl(1-->2)]-L-arabinopyranosyl 23-hydroxyl lup-20(29)-en-28-oic acid - 28-O-rhamnopyranosyl(1-->4)glucopyranosyl(1-->6)glucopyranoside6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-(3beta-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranoseHederacholichiside FPulsatilloside HPulchinenoside H
Show more names
Hederacolchiside FPulsatillasaponin HPulsatillasaponin III3-O-D-glucopyranosyl( 1→Pulsatilla saponin H, 10 mM in DMSO2)]-L-arabinopyranosyl 23-hydroxyl lup-20(29)-en-28-oic acid3-O-D-glucopyranosyl( 1→4)- [ L-rhamnopyranosyl(1→2)]-L-arabinopyranosyl 23-hydroxyl lup-20(29)-en-28-oic acid – 2
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 492 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 31
- Rotatable bonds
- 17
- Heavy atoms
- 96
- Formal charge
- 0
- Complexity
- 2,700
Physicochemical properties
- Melting point
- 205 · 205-208℃
- Density
- 1.53 · 1.53±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 12.5 · 12.50±0.70(Predicted)
Chemistry & industry
Applications
UsesPulsatilla saponin H is a natural compound isolated from the Roots of Pulsatilla koreana[1].
Suppliers59 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
桂林莱科生物科技有限公司18978670903 18107731009 · [email protected]
上海诗丹德标准技术服务有限公司
Related reactions
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No reaction records under the current filter.
Compound notes
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