Saptomycin D
Basic information
- CAS
137714-91-1- Standard SMILES
C/C=C/C1OC1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc(C2CC(C)(N(C)C)C(OC(C)=O)C(C)O2)c1O)C3=O- InChIKey
SEVRUPDCFLLSBX-MDZDMXLPSA-N- Molecular formula
- C35H37NO9
- Average molar mass
- 615.7 g/mol
- Monoisotopic mass
- 615.24683176
Overview
Saptomycin D is an anthraquinone.
Names & identifiers
- Preferred name
- Saptomycin D
- IUPAC
- [4-(dimethylamino)-6-[11-hydroxy-5-methyl-2-[2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyloxan-3-yl] acetate
Names & synonyms
Saptomycin D137714-91-1[4-(dimethylamino)-6-[11-hydroxy-5-methyl-2-[2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyloxan-3-yl] acetateDTXSID701344349(4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-(2-methyl-3-((E)-prop-1-enyl)oxiran-2-yl)-4,7,12-trioxonaphtho(2,3-h)chromen-10-yl)-2,4-dimethyloxan-3-yl) acetateRefChem:181282DTXCID0017729894H-Anthra(1,2-b)pyran-4,7,12-trione, 10-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-11-hydroxy-5-methyl-2-(2-methyl-3-(1-propenyl)oxiranyl)-, (2-alpha,3-beta(Z))-SCHEMBL29711596CHEBI:219604(E)-4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-(2-methyl-3-(prop-1-en-1-yl)oxiran-2-yl)-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate
Database identifiers
- CAS
137714-91-1- PubChem CID
- 6438697
- ChEBI
CHEBI:219604
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,320
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