Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32277
- Core Entity Id
- 39066
- Source Entity Count
- 1
- Preferred Name
- Sacranoside a
- Name En
- Pubchem Id
- 102094959
- Smiles Canonical
- CC1(C2CC=C(C1C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C
- Molecular Formula
- C20H32O10
- Molecular Weight
- 432.4660
- Inchikey
- YLNYTKXAZSDTJC-PNRJEVNGSA-N
- Inchi
- InChI=1S/C20H32O10/c1-20(2)8-3-4-11(9(20)5-8)29-19-17(26)15(24)14(23)12(30-19)7-28-18-16(25)13(22)10(21)6-27-18/h4,8-10,12-19,21-26H,3,5-7H2,1-2H3/t8?,9?,10-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
- Isomeric Smiles
- CC1(C2CC=C(C1C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -1.7839
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sacranoside A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sacranoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sacranoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sacranoside a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042740
Tcmid
19094
Sym Map
SMIT26593
Pub Chem
102094959
Tcmbank
TCMBANKIN007867
Itcmdb Generated
ITX-INGREDIENT-E502DC43E5D7
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
In Ch I
InChI=1S/C20H32O10/c1-20(2)8-3-4-11(9(20)5-8)29-19-17(26)15(24)14(23)12(30-19)7-28-18-16(25)13(22)10(21)6-27-18/h4,8-10,12-19,21-26H,3,5-7H2,1-2H3/t8?,9?,10-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
Mol Wt
432.4660000000001
Smiles
CC1(C2CC=C(C1C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C
Mol Log P
-1.783899999999998
Version
v2
In Ch Ikey
YLNYTKXAZSDTJC-PNRJEVNGSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.293
Num Hacceptors
10
Isomeric Smiles
CC1(C2CC=C(C1C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O)O)C
Canonical Smiles
CC1(C2CC=C(C1C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C
Molecular Weight
432.5 g/mol
Molecule Formula
C21H34O12
Molecular Formula
C20H32O10
Molecular Formula
C20H32O10
Num Rotatable Bonds
5