Gypenoside A

CAS
157752-01-7
Catalog Number
ACM157752017
Category
Other Products
Molecular Weight
899.07
Molecular Formula
C46H74O17

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Specification

Synonyms
GYPENOSIDE A;(3beta,21S)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-[beta-D-xylopyranosyl-(1-3)]-alpha-L-arabinopyranosyl)oxy]-21,23-epoxy-20,21-dihydroxydammar-24-en-19-al
IUPAC Name
17-[2,3-dihydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-3-[5-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(CCC6(C5(CCC4C3(C)C)C)C)C7(CC(OC7O)C=C(C)C)O)C=O)O)OC8C(C(C(CO8)O)O)O)O)O)O
InChI
InChI=1S/C46H74O17/c1-21(2)16-23-17-46(56,41(55)60-23)25-10-13-43(6)24(25)8-9-29-44(43,7)14-11-28-42(4,5)30(12-15-45(28,29)20-47)61-40-37(63-39-35(54)33(52)31(50)22(3)59-39)36(27(49)19-58-40)62-38-34(53)32(51)26(48)18-57-38/h16,20,22-41,48-56H,8-15,17-19H2,1-7H3
InChI Key
JJURGRVZASRDDE-UHFFFAOYSA-N
Appearance
White crystalline powder
What is the molecular formula of Gypenoside A?

The molecular formula of Gypenoside A is C46H74O17.

When was Gypenoside A created in PubChem?

Gypenoside A was created in PubChem on December 18, 2017.

What is the molecular weight of Gypenoside A?

The molecular weight of Gypenoside A is 899.1 g/mol.

How many hydrogen bond donor counts does Gypenoside A have?

Gypenoside A has 9 hydrogen bond donor counts.

What is the exact mass of Gypenoside A?

The exact mass of Gypenoside A is 898.49260089 g/mol.

How many heavy atoms does Gypenoside A contain?

Gypenoside A contains 63 heavy atoms.

Is Gypenoside A's compound canonicalized?

Yes, Gypenoside A's compound is canonicalized.

What is the XLogP3-AA value of Gypenoside A?

The XLogP3-AA value of Gypenoside A is 1.3.

How many hydrogen bond acceptor counts does Gypenoside A have?

Gypenoside A has 17 hydrogen bond acceptor counts.

What is the topological polar surface area of Gypenoside A?

The topological polar surface area of Gypenoside A is 264Ų.

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