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Glycoside H2

CAT: 0931-TN8165-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8165-01Size:10 mg
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CAS Number
73529-43-8
Bioactivity
Glycoside H2 enhances neurite outgrowth mediated by nerve growth factor (NGF) .
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6[C@H](OC(C)=O)[C@@H](OC)[C@@H](O)[C@@H](C)O6)[C@@H](C)O5)CC4)(CC1)[H])[H])(C[C@@H](O)[C@@]2([C@@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](OC)[C@@H](O)[C@@H](C)O7)C)[H])[H]
Molecular Formula
C56H92O25
Molecular Weight
1165.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glycoside H2

from Chinese crude drug "Wujiapi"

CAS Number73529-43-8
PubChem CID73852569
IUPAC Name[(2S,3R,4S,5S,6R)-5-hydroxy-2-[(2R,3R,4S,6R)-6-[[(3S,8S,9S,10R,13S,14S,16R,17R)-16-hydroxy-17-[1-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxan-3-yl] acetate
Molecular FormulaC56H92O25
Molecular Weight1165.3
XLogP-0.7
Topological Polar Surface Area349
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count25
Rotatable Bond Count18
Heavy Atom Count81
Formal Charge0
Complexity2110
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@H]3CC[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CC=C4C3)C[C@H]([C@@H]6C(C)O[C@H]7C([C@H]([C@H]([C@H](O7)C)O)OC)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)C)C)C)OC(=O)C)OC)O
InChI
InChI=1S/C56H92O25/c1-22(73-53-50(48(70-10)39(61)23(2)74-53)81-52-45(67)43(65)41(63)35(79-52)21-71-51-44(66)42(64)40(62)34(20-57)78-51)37-32(59)18-31-29-12-11-27-17-28(13-15-55(27,6)30(29)14-16-56(31,37)7)77-36-19-33(68-8)46(25(4)72-36)80-54-49(76-26(5)58)47(69-9)38(60)24(3)75-54/h11,22-25,28-54,57,59-67H,12-21H2,1-10H3/t22?,23-,24-,25-,28+,29-,30+,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41-,42+,43+,44-,45-,46-,47+,48+,49-,50?,51-,52-,53-,54+,55+,56+/m1/s1
InChIKey
JNINMHDUXJEVTJ-VUSVZNDNSA-N
Chemical Structure
2D Structure
2D structure of Glycoside H2
CAS: 73529-43-8
CID: 73852569
Formula: C56H92O25
MW: 1165.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1165.3
XLogP3-0.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count25
Rotatable Bond Count18
Exact Mass1164.59276842
Monoisotopic Mass1164.59276842
Topological Polar Surface Area349 Ų
Heavy Atom Count81
Formal Charge0
Complexity2110
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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