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: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12931
- Core Entity Id
- 17542
- Source Entity Count
- 1
- Preferred Name
- Boschnaloside
- Name En
- Pubchem Id
- 155942
- Smiles Canonical
- CC1CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C16H24O8
- Molecular Weight
- 344.3600
- Inchikey
- MRIFZKMKTDPBHR-XLOWEYQUSA-N
- Inchi
- InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0957
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boschnaloside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Boschnaloside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Boschnaloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Boschnaloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Boschnaloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Boschnaloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
肉苁蓉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ROU CONG RONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Desertliving Cistanche
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
72963-55-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
72963-55-4
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Epiiridotrial glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Epiiridotrial glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:2320
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2320
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3622813
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3622813
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7R,7aR)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7R,7aR)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S-(1alpha,4aalpha,7beta,7aalpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S-(1alpha,4aalpha,7beta,7aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70993733
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70993733
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9058000
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9058000
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
肉苁蓉ROU CONG RONGDesertliving Cistanche(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde72963-55-48-Epiiridotrial glucosideCHEBI:2320CHEMBL3622813Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7R,7aR)-Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S-(1alpha,4aalpha,7beta,7aalpha))-DTXSID70993733SCHEMBL9058000
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018762
Npass
NPC63897
Tcmid
2564
Sym Map
SMIT14496
Pub Chem
155942
Tcmbank
TCMBANKIN041240
Etcm Ingredient
Boschnaloside
Itcmdb Generated
ITX-INGREDIENT-35F97AA5B396
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
Mol Wt
344.3600000000001
Mol Log P
-1.095699999999999
Version
v1,v2
In Ch Ikey
MRIFZKMKTDPBHR-XLOWEYQUSA-N
Suppress
0
Tcm Name
肉苁蓉
Tcm Name2
ROU CONG RONG
Mol2 Path
/TCM_database/2007_3d_all/02564.mol2
Reference
5501
Num Hdonors
4
Tcm Name En
Desertliving Cistanche
Drug Likeness
0.474
Num Hacceptors
8
Isomeric Smiles
C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
CC1CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O
Herb Alias Names
8-Epiiridotrial glucoside72963-55-4(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehydeCyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7R,7aR)-Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S-(1alpha,4aalpha,7beta,7aalpha))-CHEBI:2320SCHEMBL9058000CHEMBL3622813DTXSID70993733
Molecular Weight
344.150
Molecular Weight
344.36 g/mol
Molecule Formula
C16H24O8
Molecular Formula
C16H24O8
Molecular Formula
C16H24O8
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.405
Quantitative Estimate Of Drug Likeness（Qed）
0.474