PARVODICIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C81H84Cl2N8O29
Molecular Weight	1704.476
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C3OC4=CC=C(C[C@H]5NC(=O)[C@H](NC)C6=CC(OC7=CC(O)=C(Cl)C(=C7)[C@H](NC5=O)C(=O)N[C@@H]8C(C=C2OC9=CC=C(C=C9Cl)[C@@H](O)[C@@H]%10NC(=O)[C@H](NC8=O)C%11=CC=C(O)C(=C%11)C%12=C(O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O)C=C(O)C=C%12[C@H](NC%10=O)C(O)=O)=C3)=C(O)C=C6)C=C4)C(O)=O

InChI

InChIKey=OIACJRYTKMQCBK-UAEQOLOQSA-N

InChI=1S/C81H84Cl2N8O29/c1-3-4-5-6-7-8-9-10-54(97)86-63-66(100)68(102)71(79(112)113)120-80(63)119-70-51-25-36-26-52(70)116-48-20-15-35(23-43(48)82)64(98)62-77(109)90-61(78(110)111)41-27-37(93)28-50(117-81-69(103)67(101)65(99)53(31-92)118-81)55(41)40-22-33(13-18-45(40)94)58(74(106)91-62)87-75(107)59(36)88-76(108)60-42-29-39(30-47(96)56(42)83)115-49-24-34(14-19-46(49)95)57(84-2)73(105)85-44(72(104)89-60)21-32-11-16-38(114-51)17-12-32/h11-20,22-30,44,53,57-69,71,80-81,84,92-96,98-103H,3-10,21,31H2,1-2H3,(H,85,105)(H,86,97)(H,87,107)(H,88,108)(H,89,104)(H,90,109)(H,91,106)(H,110,111)(H,112,113)/t44-,53-,57-,58-,59-,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,71+,80-,81+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C81H84Cl2N8O29
Molecular Weight	1704.476
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:05:21 GMT 2025` Edited by `admin` on `Mon Mar 31 23:05:21 GMT 2025`
Record UNII	Y2784O6Z0C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PARVODICIN A

Common Name

English

RISTOMYCIN A AGLYCONE, 5,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((1-OXODECYL)AMINO)-.BETA.-D-GLUCOPYRANURONOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-N15-METHYL-

Preferred Name

English

Code System Code Type Description

CAS

110882-81-0

Created by admin on Mon Mar 31 23:05:21 GMT 2025 , Edited by admin on Mon Mar 31 23:05:21 GMT 2025

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FDA UNII

Y2784O6Z0C

Created by admin on Mon Mar 31 23:05:21 GMT 2025 , Edited by admin on Mon Mar 31 23:05:21 GMT 2025

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PUBCHEM

76972430

Created by admin on Mon Mar 31 23:05:21 GMT 2025 , Edited by admin on Mon Mar 31 23:05:21 GMT 2025

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