Structure Database (LMSD)
Common Name
Gypenoside S2
Systematic Name
3β,20S,21-trihydroxy-25-methoxydammar-23-ene-12-one-3-O-{[α-l-rhamnopyranosyl(1-2)]-[β-d-xylopyranosyl(1-3)]-α-l-arabinopyranosyl}-21-O-β-d-glucopyranoside
Synonyms
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
LZVHXQPFPKIRNH-RBQSPAAFSA-N
InChi (Click to copy)
InChI=1S/C53H88O22/c1-24-34(58)37(61)41(65)46(71-24)75-43-42(74-44-39(63)35(59)27(56)21-68-44)28(57)22-69-47(43)73-32-13-16-50(6)30(49(32,4)5)12-18-51(7)31(50)19-26(55)33-25(11-17-52(33,51)8)53(66,15-10-14-48(2,3)67-9)23-70-45-40(64)38(62)36(60)29(20-54)72-45/h10,14,24-25,27-47,54,56-66H,11-13,15-23H2,1-9H3/b14-10+/t24-,25-,27+,28-,29+,30-,31+,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47-,50-,51+,52+,53+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4([H])[C@@]([H])([C@@](CO[C@H]5[C@H](O)[C@@H](O)[C@@H]([C@@H](CO)O5)O)(O)C/C=C/C(OC)(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1
References
Reference
Protective effects of four new saponins from Gynostemma pentaphyllum against hydrogen peroxide-induced neurotoxicity in SH-SY5Y cells.
Bioorg Chem, 2020
DOI: 10.1016/j.bioorg.2020.104470
PMID: 33213892
Bioorg Chem, 2020
DOI: 10.1016/j.bioorg.2020.104470
PMID: 33213892
Taxonomy Information
Calculated Physicochemical Properties
Heavy Atoms
75
Rings
8
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
1014.68
Topological Polar Surface Area
351.18
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
22
logP
6.06
Molar Refractivity
272.10
Admin
Created at
15th Dec 2020
Updated at
15th Dec 2020