Quartromicin A2
Basic information
- CAS
136765-20-3- Standard SMILES
C/C1=C\C=C\C2C=C(CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)CC23OC([O-])C(C3=O)C(O)/C=C/C2(C)C=C(CO)C(C)CC23OC([O-])C(C3=O)C(O)/C(C)=C/C=C/C2(C)C=C(CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)CC23OC([O-])C(C3=O)C(O)/C=C/C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C1O- InChIKey
BSZIRNCDXWFQEV-MNKRQEGKSA-N- Molecular formula
- C77H100O30-4
- Average molar mass
- 1,505.6 g/mol
- Monoisotopic mass
- 1,504.62994177
Names & identifiers
- Preferred name
- Quartromicin A2
- IUPAC
- (7E,19E,21E,33E,45E,47E)-4-formyl-9,23,35,49-tetrahydroxy-30-(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrolate
Names & synonyms
Quartromicin A2BU-3889V A2136765-20-3
Database identifiers
- CAS
136765-20-3- PubChem CID
- 6450985
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 514 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 10
- Heavy atoms
- 107
- Formal charge
- -4
- Complexity
- 3,720
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Compound notes
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