Structure Database (LMSD)
Common Name
Ginsenoside Rb2
Systematic Name
(3β,12β)-20-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms
- Ginsenoside C
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ginsenoside Rb2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
String Representations
InChiKey (Click to copy)
NODILNFGTFIURN-GZPRDHCNSA-N
InChi (Click to copy)
InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,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-,50-,51+,52+,53-/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]6OC[C@H](O)[C@H](O)[C@H]6O)O5)(C)CC/C=C(\C)/C)([H])[C@@]4([H])[C@H](O)C[C@]3([H])[C@@]12C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
75
Rings
8
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
1017.32
Topological Polar Surface Area
365.34
Hydrogen Bond Donors
14
Hydrogen Bond Acceptors
22
logP
5.88
Molar Refractivity
273.43
Admin
Created at
14th Jun 2021
Updated at
14th Jun 2021