IngredientID 64290
Methyl (1S,4As,8S,8As)-3-Hydroxy-1-Methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,3,4,4A,8,8A-Hexahydropyrano[3,4-C]Pyran-5-Carboxylate
C17H26O11
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64290
- Core Entity Id
- 111308
- Source Entity Count
- 1
- Preferred Name
- Methyl (1S,4As,8S,8As)-3-Hydroxy-1-Methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,3,4,4A,8,8A-Hexahydropyrano[3,4-C]Pyran-5-Carboxylate
- Name En
- Pubchem Id
- 11304302
- Smiles Canonical
- CC1C2C(CC(O1)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC
- Molecular Formula
- C17H26O11
- Molecular Weight
- 406.4000
- Inchikey
- YTZSBJLNMIQROD-KKORFXOPSA-N
- Inchi
- InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10?,11+,12+,13-,14+,16-,17-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.8000
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 164.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl (1S,4As,8S,8As)-3-Hydroxy-1-Methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,3,4,4A,8,8A-Hexahydropyrano[3,4-C]Pyran-5-Carboxylate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25355
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C17H26O11