DIPSACOSIDE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H86O22
Molecular Weight	1075.2367
Optical Activity	UNSPECIFIED
Defined Stereocenters	28 / 28
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=GFPLPBCJRRNZHM-ICUGHKHQSA-N

InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H86O22
Molecular Weight	1075.2367
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	28 / 28
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Streptomyces aureus 1 Target ID: CHEMBL612482 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19152225	Inhibitor 8504
Staphylococcus epidermidis 4 Target ID: CHEMBL353 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19152225	Inhibitor 8504
Pseudomonas aeruginosa 12 Target ID: CHEMBL348 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19152225	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:15:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:15:22 GMT 2025`
Record UNII	E5H3T7090C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPSACOSIDE B

Common Name

English

DIPSACUS SAPONIN M

Preferred Name

English

HEDERAGENIN 3-O-.ALPHA.-L-RHAMNOPYRANOSYL(1->2)-.ALPHA.-L-ARABINOPYRANOSYL-28-O-.BETA.-D-GLUCOPYRANOSYL(1->6)-.BETA.-D-GLUCOPYRANOSIDE

Common Name

English

GLYCOSIDE L-G3

Common Name

English

TAUROSIDE G3

Common Name

English

OLEAN-12-EN-28-OIC ACID, 3-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.ALPHA.-L-ARABINOPYRANOSYL)OXY)-23-HYDROXY-, 6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (3.BETA.,4.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21627940

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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EPA CompTox

DTXSID501350116

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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CAS

33289-85-9

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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FDA UNII

E5H3T7090C

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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