Basic information
- CAS
62601-71-2- Standard SMILES
C[C@@H](CC[C@@]1(O)OC2CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
SDFCGXHKRHPQDW-DDKZEQLZSA-N- Molecular formula
- C63H104O34
- Average molar mass
- 1,405.5 g/mol
- Monoisotopic mass
- 1,404.6409004
Names & identifiers
- Preferred name
- Protopolygonatoside G
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2S)-4-[(6R,7S,9S,13R,16S)-16-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
62601-71-2RefChem:1097071Protopoligonatozid G
Database identifiers
- CAS
62601-71-2- PubChem CID
- 3085249
Properties
Computed structural properties
- XLogP
- -5.4
- Topological polar surface area
- 545 Ų
- Hydrogen bond donors
- 21
- Hydrogen bond acceptors
- 34
- Rotatable bonds
- 22
- Heavy atoms
- 97
- Formal charge
- 0
- Complexity
- 2,590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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