Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12935
- Core Entity Id
- 17546
- Source Entity Count
- 1
- Preferred Name
- Boschnaside
- Name En
- Pubchem Id
- 158599
- Smiles Canonical
- CC1CCC2C1C(OC=C2C)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C16H26O7
- Molecular Weight
- 330.3770
- Inchikey
- GQTMITBKWQUDDM-SGMYOYQVSA-N
- Inchi
- InChI=1S/C16H26O7/c1-8-3-4-9-5-6-21-14(11(8)9)23-15-12(18)13(19)16(2,20)10(7-17)22-15/h5-6,8-15,17-20H,3-4,7H2,1-2H3/t8-,9+,10-,11-,12-,13-,14?,15+,16-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@H]2[C@@H]1C(OC=C2)O[C@H]3[C@@H]([C@H]([C@]([C@H](O3)CO)(C)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2747
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boschnaside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Boschnaside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Boschnaside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Boschnaside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
boschnaside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-Methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 4-C-methylhexopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 4-C-methylhexopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
83946-28-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
83946-28-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201004124
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID201004124
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, (1S,4aS,7R,7aR)-1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, (1S,4aS,7R,7aR)-1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,7beta,7aalpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,7beta,7aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-Methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 4-C-methylhexopyranoside83946-28-5DTXSID201004124beta-D-Glucopyranoside, (1S,4aS,7R,7aR)-1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-ylbeta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,7beta,7aalpha))-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018766
Tcmid
34277
Sym Map
SMIT22680
Pub Chem
158599
Tcmbank
TCMBANKIN017015
Itcmdb Generated
ITX-INGREDIENT-F551B2F744D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H26O7/c1-8-3-4-9-5-6-21-14(11(8)9)23-15-12(18)13(19)16(2,20)10(7-17)22-15/h5-6,8-15,17-20H,3-4,7H2,1-2H3/t8-,9+,10-,11-,12-,13-,14?,15+,16-/m1/s1
Mol Wt
330.377
Smiles
CC1CCC2C1C(OC=C2C)OC3C(C(C(C(O3)CO)O)O)O
Mol Log P
-0.2747
Version
v2
In Ch Ikey
GQTMITBKWQUDDM-SGMYOYQVSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.564
Num Hacceptors
7
Isomeric Smiles
C[C@@H]1CC[C@@H]2[C@@H]1C(OC=C2)O[C@H]3[C@@H]([C@H]([C@]([C@H](O3)CO)(C)O)O)O
Canonical Smiles
CC1CCC2C1C(OC=C2)OC3C(C(C(C(O3)CO)(C)O)O)O
Herb Alias Names
83946-28-5DTXSID201004124beta-D-Glucopyranoside, (1S,4aS,7R,7aR)-1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl7-Methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 4-C-methylhexopyranosidebeta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-4,7-dimethylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,7beta,7aalpha))-
Molecular Formula
C16H26O7
Molecular Formula
C16H26O7
Num Rotatable Bonds
3