Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06748"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"ginsenoside C"
|
| drugbank:description |
"
15291-76-6
nutraceutical
This compound belongs to the steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.
Steroidal Glycosides
Organic Compounds
Lipids
Steroids and Steroid Derivatives
Steroidal Glycosides
Tetrahexoses
Triterpene Saponins
Dammarane Triterpenes
Hydroxysteroids
O-glycosyl Compounds
Alkyl Glycosides
Cyclohexanols
Oxanes
1,2-Diols
Cyclic Alcohols and Derivatives
Polyamines
Acetals
Primary Alcohols
12-hydroxy-steroid
terpene glycoside
tetrasaccharide
o-glycosyl compound
glycosyl compound
alkyl glycoside
cyclohexanol
oxane
saccharide
cyclic alcohol
secondary alcohol
1,2-diol
polyol
ether
polyamine
primary alcohol
acetal
alcohol
logP
-0.02
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
7.84e-01 g/l
ALOGPS
logP
-0.92
ChemAxon
IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-5-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
ChemAxon
Traditional IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-5-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
ChemAxon
Molecular Weight
1079.2685
ChemAxon
Monoisotopic Weight
1078.592374564
ChemAxon
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[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@@]21C
ChemAxon
Molecular Formula
C53H90O22
ChemAxon
InChI
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
ChemAxon
InChIKey
InChIKey=NODILNFGTFIURN-USYOXQFSSA-N
ChemAxon
Polar Surface Area (PSA)
357.06
ChemAxon
Refractivity
260.93
ChemAxon
Polarizability
117.65
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
22
ChemAxon
H Bond Donor Count
14
ChemAxon
pKa (strongest acidic)
11.75
ChemAxon
pKa (strongest basic)
-3.6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
8
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
12912363
PubChem Substance
99443284
ChemSpider
23327428
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object