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Gelomuloside A

CAT: 0804-HY-N3936Size: 1 EachDry Ice: NoHazardous: No
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Description
Gelomuloside A is a Flavonoids product that can be isolated from the leaves of Suregada multiflora.[1].
CAS Number
149998-38-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gelomuloside-a.html
Smiles
OC1=C2C(OC(C3=CC=C(OC)C=C3)=CC2=O)=CC(OC)=C1O[C@H]4[C@@H]([C@H]([C@H](O)[C@@H](CO)O4)O)O[C@@]5([H])[C@@H]([C@@H]([C@@H](O)[C@H](C)O5)O)O
Molecular Formula
C29H34O15
Molecular Weight
622.57
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Gelomuloside A

Gelomuloside A has been reported in Suregada multiflora with data available.

CAS Number149998-38-9
PubChem CID10438880
IUPAC Name6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC29H34O15
Molecular Weight622.6
XLogP0.1
Topological Polar Surface Area223
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1000
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)OC)OC)CO)O)O)O)O)O
InChI
InChI=1S/C29H34O15/c1-11-20(32)23(35)25(37)28(40-11)44-27-24(36)21(33)18(10-30)42-29(27)43-26-17(39-3)9-16-19(22(26)34)14(31)8-15(41-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-25,27-30,32-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,27+,28-,29-/m0/s1
InChIKey
HFNIATQIKQCDMZ-VHVDPMTKSA-N
Chemical Structure
2D Structure
2D structure of Gelomuloside A
CAS: 149998-38-9
CID: 10438880
Formula: C29H34O15
MW: 622.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.6
XLogP30.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass622.18977037
Monoisotopic Mass622.18977037
Topological Polar Surface Area223 Ų
Heavy Atom Count44
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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