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
- 34283
- Core Entity Id
- 41301
- Source Entity Count
- 1
- Preferred Name
- Symplocomoside
- Name En
- Pubchem Id
- 11318712
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O
- Molecular Formula
- C27H26O12
- Molecular Weight
- 542.4930
- Inchikey
- YRACBMDJPWWWRJ-UFOFBUIZSA-N
- Inchi
- InChI=1S/C27H26O12/c28-16-9-10-18(15(11-16)12-36-19-8-4-7-17(21(19)29)25(33)34)38-27-24(32)23(31)22(30)20(39-27)13-37-26(35)14-5-2-1-3-6-14/h1-11,20,22-24,27-32H,12-13H2,(H,33,34)/t20-,22-,23+,24-,27-/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4184
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Symplocomoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Symplocomoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Symplocomoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
珠仔树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHU ZI SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Racemose Sweetleaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
珠仔树ZHU ZI SHURacemose Sweetleaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045219
Tcmid
20512
Pub Chem
11318712
Tcmbank
TCMBANKIN043374
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H26O12/c28-16-9-10-18(15(11-16)12-36-19-8-4-7-17(21(19)29)25(33)34)38-27-24(32)23(31)22(30)20(39-27)13-37-26(35)14-5-2-1-3-6-14/h1-11,20,22-24,27-32H,12-13H2,(H,33,34)/t20-,22-,23+,24-,27-/m1/s1
Mol Wt
542.4930000000004
Mol Log P
1.4184
In Ch Ikey
YRACBMDJPWWWRJ-UFOFBUIZSA-N
Tcm Name
珠仔树
Tcm Name2
ZHU ZI SHU
Mol2 Path
/TCM_database/2007_3d_all/20528.mol2
Reference
4093
Num Hdonors
6
Tcm Name En
Racemose Sweetleaf
Drug Likeness
0.213
Num Hacceptors
11
Isomeric Smiles
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O
Canonical Smiles
C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O
Molecular Formula
C27H26O12
Num Rotatable Bonds
9