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Ingredients

(2s,3r,4r,5s,6r)-2-[[(1s,4as,5r,7ar)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1h-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol

C15H22O10

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(2s,3r,4r,5s,6r)-2-[[(1s,4as,5r,7ar)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1h-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
Molecular Formula
C15H22O10
Molecular Weight
No data
Canonical SMILES
C1=COC(C2C1(C(C=C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES
C1=CO[C@H]([C@H]2[C@@]1([C@@H](C=C2CO)O)O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H22O10/c16-4-6-3-8(18)15(22)1-2-23-13(9(6)15)25-14-12(21)11(20)10(19)7(5-17)24-14/h1-3,7-14,16-22H,4-5H2/t7-,8-,9+,10-,11-,12-,13+,14+,15-/m1/s1
Oral Bioavailability
3.103
Drug Likeness
0.247
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient1 Herbs
01
熟地黄
Shu Di Huang / Rehmanniae Radix Praeparata; Radix Rehmanniae Praeparata
Shu Di HuangRehmanniae Radix Praeparata; Radix Rehmanniae Praeparata