chempirical

Ginsenoside rd

C48H82O18CAS 52705-93-8947.17 g/mol

Open in Covalent MOL file
OOOHOHOHHOOHOOHOHOHOOOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C48H82O18
Molar mass
947.17 g/mol
Exact mass
946.5501 Da
Melting point
204–206 °C
logP
-0.03Crippen estimate
Polar surface area
298.1 Ų
H-bond donors / acceptors
12 / 18
Rotatable bonds
13
Stereocentres
S, S, R, S, S, R, S, R, R, R, R, R, S, R, R, S, S, R, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
52705-93-8
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChIKey
RLDVZILFNVRJTL-IWFVLDDISA-N
InChI
InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • β-D-Glucopyranoside, (3β,12β)-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Gypenoside VIII
  • 3-O-β-D-Glucopyranosyl-(1→2)-β-D-glucopyranosyl-20-O-β-D-glucopyranosyldammar-24-ene-3β,12β,20S-triol
  • Chikusetsusaponin FK7
  • Ginsenoside rd1

Work with Ginsenoside rd

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ginsenoside F262025-49-493 % similar Ginsenoside rc11021-14-093 % similar Ginsenoside rb141753-43-993 % similar Ginsenoside rb211021-13-989 % similar Ginsenoside rb368406-26-889 % similar Notoginsenoside fe88105-29-787 % similar Vinaginsenoside R4156009-80-286 % similar Gypenoside ix80321-63-784 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ginsenoside re52286-59-6 Gypenoside xvii80321-69-3

Elsewhere

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