Structure Info
- Chemspace ID
- CSSS00159262550 (In-Stock Screening Compounds)
- MFCD
- MFCD32263452, MFCD06761820
- IUPAC Name
- (3S,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
- Mol formula
- C36H56O11
- Mol weight
- 665 Da
- Catalog Number(s)
- AE19726, AG00900M, ArZ-UP481296, CFN90989, CSC159262550, E88627, FS-7195, HY-N5040, MVB64852, TN1762, U107227, Y3317477, ZX-CY003072
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.37
- Heavy atoms count
- 47
- Rotatable bond count
- 5
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.888
- Polar surface area (Å)
- 194
- Hydrogen bond acceptors count
- 10
- Hydrogen bond donors count
- 7
- Zoom the structure
- CSSS00159262550
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