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
- 36142
- Core Entity Id
- 43361
- Source Entity Count
- 1
- Preferred Name
- Uncinoside b
- Name En
- Pubchem Id
- 11743072
- Smiles Canonical
- CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)OC3C(C(C(C(O3)CO)O)O)O)C)OC(=O)C
- Molecular Formula
- C20H24O10
- Molecular Weight
- 424.4020
- Inchikey
- LWUPJUOQFDZAMI-CTXHMNPMSA-N
- Inchi
- InChI=1S/C20H24O10/c1-7-5-11(23)13-18(27-7)8(2)17(9(3)19(13)28-10(4)22)30-20-16(26)15(25)14(24)12(6-21)29-20/h5,12,14-16,20-21,24-26H,6H2,1-4H3/t12-,14-,15+,16-,20+/m1/s1
- Isomeric Smiles
- CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.1777
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uncinoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Uncinoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uncinoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
翠云草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CUI YUN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hooked Spikemoss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
474104-96-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
474104-96-6
Role
alias
Source
HERB_v2
Preferred
No
Name
5-acetoxyl-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
5-acetoxyl-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
5-acetoxyl-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,6,8-trimethyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,6,8-trimethyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
翠云草CUI YUN CAOHooked Spikemoss474104-96-65-acetoxyl-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside[2,6,8-trimethyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047521
Npass
NPC211787
Tcmid
22200
Tcm Id
20842
Pub Chem
11743072
Tcmbank
TCMBANKIN038957
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O10/c1-7-5-11(23)13-18(27-7)8(2)17(9(3)19(13)28-10(4)22)30-20-16(26)15(25)14(24)12(6-21)29-20/h5,12,14-16,20-21,24-26H,6H2,1-4H3/t12-,14-,15+,16-,20+/m1/s1
Mol Wt
424.4020000000002
Mol Log P
-0.1777400000000002
In Ch Ikey
LWUPJUOQFDZAMI-CTXHMNPMSA-N
Tcm Name
翠云草
Tcm Name2
CUI YUN CAO
Mol2 Path
/TCM_database/2007_3d_all/22216.mol2
Reference
4398
Num Hdonors
4
Tcm Name En
Hooked Spikemoss
Drug Likeness
0.384
Num Hacceptors
10
Isomeric Smiles
CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)OC(=O)C
Canonical Smiles
CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)OC3C(C(C(C(O3)CO)O)O)O)C)OC(=O)C
Herb Alias Names
[2,6,8-trimethyl-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] acetate(2,6,8-trimethyl-4-oxo-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-5-yl) acetate5-acetoxyl-2,6,8-trimethylchromone 7-O-beta-D-glucopyranoside474104-96-6
Molecular Weight
424.4 g/mol
Molecular Formula
C20H24O10
Num Rotatable Bonds
4