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
LM ID
LMPR0106080016
Formula
Exact Mass
Calculate m/z
1078.59238
Status
Active


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Panax ginseng (#4054)
Magnoliopsida (#3398)
Ginseng pharmacology: multiple constituents and multiple actions.,
Biochem Pharmacol, 1999
Pubmed ID: 10571242

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

CHEBI ID
PubChem CID

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

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Created at
14th Jun 2021
Updated at
14th Jun 2021