Products for Research Use Only
RegisterLogin

Anchusoside I

CAT: 0931-T124321-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T124321-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
72786-33-5
Target
Others
Related Pathways
Others
Bioactivity
Anchusoside I is a natural product that can be used as a reference standard. The CAS number of Anchusoside I is 72786-33-5.
Smiles
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C42H68O13
Molecular Weight
780.993
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anchusoside I
CAS Number72786-33-5
PubChem CID155978576
IUPAC Name[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,10R,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC42H68O13
Molecular Weight781.0
XLogP4.1
Topological Polar Surface Area216
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count55
Formal Charge0
Complexity1480
SMILES
C[C@]12CC[C@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI
InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(20-44)53-35)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-50H,9-20H2,1-7H3/t22?,23-,24-,25?,26?,27-,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41-,42+/m1/s1
InChIKey
LKYABSOYLMWGQR-OZLOJOPQSA-N
Chemical Structure
2D Structure
2D structure of Anchusoside I
CAS: 72786-33-5
CID: 155978576
Formula: C42H68O13
MW: 781.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight781.0
XLogP34.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass780.46599222
Monoisotopic Mass780.46599222
Topological Polar Surface Area216 Ų
Heavy Atom Count55
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T75407-01Endoglycoceramidase I (EGCase I)
TN6173Rhodomyrtosone I
TN4165-01Grayanotoxin I
T28288Pacidamycin I
T124415-01Violaceol I
TN4755Peucedanocoumarin I
TN1588Dihydroisotanshinone I
TN2248-01Sylvestroside I
TN4479Macrocarpal I
TN5908Symphonone I

Alternative Products

CatalogName
GTR19231705-01Anchusoside I

Popular Products