Borapetoside D

CAT: 0926-BGA20048-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BGA20048-02Size:5 mg

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CAS Number

151200-48-5

MDL Number

MFCD28009420

Smiles

CC1 (C2CCC=C (C2 (C3CC1C (=O) O3) C) C (=O) OC) CC (C4=COC=C4) OC5C (C (C (C (O5) COC6C (C (C (C (O6) CO) O) O) O) O) O) O

Molecular Formula

C33H46O16

Molecular Weight

698.7 g/mol

Controlled

Chemical Information

Borapetoside D

borapetoside D has been reported in Tinospora crispa with data available.

CAS Number	151200-48-5
PubChem CID	46886851
IUPAC Name	methyl (1S,2R,7S,8S,9R)-8-[(2R)-2-(furan-3-yl)-2-[(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]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate
Molecular Formula	C33H46O16
Molecular Weight	698.7
XLogP	-0.9
Topological Polar Surface Area	244
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Heavy Atom Count	49
Formal Charge	0
Complexity	1250

SMILES

C[C@@]1([C@@H]2CCC=C([C@@]2([C@@H]3C[C@H]1C(=O)O3)C)C(=O)OC)C[C@H](C4=COC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

InChI

InChI=1S/C33H46O16/c1-32(16-9-21(49-29(16)42)33(2)15(28(41)43-3)5-4-6-20(32)33)10-17(14-7-8-44-12-14)46-31-27(40)25(38)23(36)19(48-31)13-45-30-26(39)24(37)22(35)18(11-34)47-30/h5,7-8,12,16-27,30-31,34-40H,4,6,9-11,13H2,1-3H3/t16-,17+,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,30+,31+,32+,33-/m0/s1

InChIKey

RDANOZJKKFLLEO-KBAPQYMASA-N

Chemical Structure

2D Structure

CAS: 151200-48-5

CID: 46886851

Formula: C33H46O16

MW: 698.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	698.7
XLogP3	-0.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	11
Exact Mass	698.27858538
Monoisotopic Mass	698.27858538
Topological Polar Surface Area	244 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1250
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BGA20049-01	Borapetoside E
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BGA20050-01	Borapetoside F
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FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH

Alternative Products

Catalog	Name
GTR19269400	Borapetoside A
379707	Borapetoside E
MBS5761980	Borapetoside D
MBS5761982	Borapetoside F
HY-N2951-01	Borapetoside B

Borapetoside D

Chemical Information

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