Structure Database (LMSD)
Common Name
Ginsenoside Rb1
Systematic Name
20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12β-hydroxydammar-24-en-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
GZYPWOGIYAIIPV-JBDTYSNRSA-N
InChi (Click to copy)
InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
SMILES (Click to copy)
C1C[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(C)(C)[C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]([C@](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)O5)(C)CC/C=C(\C)/C)([H])[C@@]4([H])[C@H](O)C[C@]3([H])[C@@]12C
References
Calculated Physicochemical Properties
Heavy Atoms
77
Rings
8
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
1043.41
Topological Polar Surface Area
385.57
Hydrogen Bond Donors
15
Hydrogen Bond Acceptors
23
logP
5.52
Molar Refractivity
279.95
Admin
Created at
14th Jun 2021
Updated at
14th Jun 2021