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
- 32807
- Core Entity Id
- 39658
- Source Entity Count
- 1
- Preferred Name
- Schoenoside
- Name En
- Pubchem Id
- 11826212
- Smiles Canonical
- COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O
- Molecular Formula
- C21H22O10
- Molecular Weight
- 434.3970
- Inchikey
- RPWGPITYYOQXEV-YMQHIKHWSA-N
- Inchi
- InChI=1S/C21H22O10/c1-28-16-5-10-4-14(30-15(10)7-13(16)24)9-2-11(23)6-12(3-9)29-21-20(27)19(26)18(25)17(8-22)31-21/h2-7,17-27H,8H2,1H3/t17-,18-,19+,20-,21-/m1/s1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6983
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Schoenoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Schoenoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Schoenoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
味精百合
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WEI JING BAI HE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Schoenocoulon officinale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-5-methoxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-5-methoxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
味精百合WEI JING BAI HESchoenocoulon officinale(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-5-methoxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043391
Npass
NPC57574
Tcmid
19497
Pub Chem
11826212
Tcmbank
TCMBANKIN047325
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O10/c1-28-16-5-10-4-14(30-15(10)7-13(16)24)9-2-11(23)6-12(3-9)29-21-20(27)19(26)18(25)17(8-22)31-21/h2-7,17-27H,8H2,1H3/t17-,18-,19+,20-,21-/m1/s1
Mol Wt
434.397
Mol Log P
0.6983000000000006
In Ch Ikey
RPWGPITYYOQXEV-YMQHIKHWSA-N
Tcm Name
味精百合
Tcm Name2
WEI JING BAI HE
Mol2 Path
/TCM_database/2007_3d_all/19512.mol2
Reference
4210
Num Hdonors
6
Tcm Name En
Schoenocoulon officinale
Drug Likeness
0.337
Num Hacceptors
10
Isomeric Smiles
COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Canonical Smiles
COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O
Herb Alias Names
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-5-methoxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight
434.4 g/mol
Molecular Formula
C21H22O10
Num Rotatable Bonds
5