Products for Research Use Only

Orientin 2''-O-rhamnoside

CAT: 0931-TN5525Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5525Size:5 mg
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CAS Number
81398-30-3
Bioactivity
Orientin 2''-O-rhamnoside is a natural product for research related to life sciences. The catalog number is TN5525 and the CAS number is 81398-30-3.
Smiles
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Molecular Formula
C27H30O15
Molecular Weight
594.522
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Orientin 2''-O-rhamnoside

Orientin 2''-O-rhamnoside has been reported in Citrus with data available.

CAS Number81398-30-3
PubChem CID21721997
IUPAC Name8-[(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]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC27H30O15
Molecular Weight594.5
XLogP-1.2
Topological Polar Surface Area256
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity995
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]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c1-8-19(34)21(36)23(38)27(39-8)42-26-22(37)20(35)16(7-28)41-25(26)18-13(32)5-12(31)17-14(33)6-15(40-24(17)18)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-23,25-32,34-38H,7H2,1H3/t8-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
InChIKey
TVSBSLGTNMNUBC-ZDBFMITKSA-N
Chemical Structure
2D Structure
2D structure of Orientin 2''-O-rhamnoside
CAS: 81398-30-3
CID: 21721997
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-1.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area256 Ų
Heavy Atom Count42
Formal Charge0
Complexity995
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