Dexylosylbenanomicin B
Basic information
- CAS
128110-33-8- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](C)C(=O)O)c1O)[C@H](O[C@@H]1O[C@H](C)[C@H](N)[C@H](O)[C@H]1O)[C@H]3O)C2=O- InChIKey
RLAZQZRIYCOWMY-JAULALIESA-N- Molecular formula
- C34H34N2O14
- Average molar mass
- 694.6 g/mol
- Monoisotopic mass
- 694.20100376
Overview
from Actinomadura sp. MH193-16F4; structure given in first source
Names & identifiers
- Preferred name
- Dexylosylbenanomicin B
- IUPAC
- (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Names & synonyms
Dexylosylbenanomicin BDesxylosyl-benanomicin B128110-33-8RefChem:132426(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Database identifiers
- CAS
128110-33-8- PubChem CID
- 72218
- Nikkaji
- J436.946G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,330
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Compound notes
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