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Stichloroside C2

CAT: 0013-GTR19221790-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221790-01Size:100 mg
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Description
Stichloroside C2 is a triterpenoid saponin isolated from the sea cucumber Stichopus chloronotus. Research indicates it exhibits cytotoxic activity in vitro, making it a compound of interest for pharmacological and anticancer studies.
CAS Number
78244-70-9
Smiles
COC1C (O) C (CO) OC (OC2C (O) COC (OC3C (C) OC (OC4C (O) C (COC4OC4CCC5 (C) C6CCC78C (CCC7 (C) C6=CCC5C4 (C) C) C (C) (CC (CC (C) =C) OC (C) =O) OC8=O) OC4OC (CO) C (O) C (OC5OC (CO) C (O) C (OC) C5O) C4O) C (O) C3O) C2O) C1O |c:49|
Molecular Formula
C68H108O32
Molecular Weight
1437.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Stichloroside C2
CAS Number78244-70-9
PubChem CID157176
IUPAC Name[1-[16-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3-[5-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpent-4-en-2-yl] acetate
Molecular FormulaC68H108O32
Molecular Weight1437.6
XLogP-1.2
Topological Polar Surface Area465
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count32
Rotatable Bond Count23
Heavy Atom Count100
Formal Charge0
Complexity2860
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC67C(CCC6(C5=CCC4C3(C)C)C)C(OC7=O)(C)CC(CC(=C)C)OC(=O)C)C)CO)O)OC8C(C(C(C(O8)CO)O)OC)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)OC1C(C(C(C(O1)CO)O)OC)O)O)O)O
InChI
InChI=1S/C68H108O32/c1-27(2)20-30(90-29(4)72)21-67(9)39-15-18-66(8)32-12-13-38-64(5,6)40(16-17-65(38,7)31(32)14-19-68(39,66)63(84)100-67)95-62-56(55(44(77)36(24-71)93-62)98-61-50(83)54(86-11)43(76)35(23-70)92-61)99-59-47(80)45(78)51(28(3)89-59)96-57-46(79)41(74)37(26-88-57)94-58-48(81)52(33(73)25-87-58)97-60-49(82)53(85-10)42(75)34(22-69)91-60/h12,28,30-31,33-62,69-71,73-83H,1,13-26H2,2-11H3
InChIKey
XUSLYKOYHLINDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stichloroside C2
CAS: 78244-70-9
CID: 157176
Formula: C68H108O32
MW: 1437.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1437.6
XLogP3-1.2
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count32
Rotatable Bond Count23
Exact Mass1436.6823713
Monoisotopic Mass1436.6823713
Topological Polar Surface Area465 Ų
Heavy Atom Count100
Formal Charge0
Complexity2860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count37
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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