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
- 28669
- Core Entity Id
- 35052
- Source Entity Count
- 1
- Preferred Name
- Oroboside-3'-methylether
- Name En
- Pubchem Id
- 101113358
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C22H22O11
- Molecular Weight
- 462.4070
- Inchikey
- APCIHDWWOMFADS-RECXWPGBSA-N
- Inchi
- InChI=1S/C22H22O11/c1-30-14-4-9(2-3-12(14)24)11-8-31-15-6-10(5-13(25)17(15)18(11)26)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0585
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oroboside-3'-methylether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oroboside-3'-methylether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oroboside-3'-methylether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
佛甲草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FO JIA CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Linear Stonecrop
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
佛甲草FO JIA CAOLinear Stonecrop
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038295
Tcmid
16201
Pub Chem
101113358
Tcmbank
TCMBANKIN045163
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H22O11/c1-30-14-4-9(2-3-12(14)24)11-8-31-15-6-10(5-13(25)17(15)18(11)26)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1
Mol Wt
462.4070000000001
Mol Log P
0.05849999999999989
In Ch Ikey
APCIHDWWOMFADS-RECXWPGBSA-N
Tcm Name
佛甲草
Tcm Name2
FO JIA CAO
Mol2 Path
/TCM_database/2007_3d_all/16212.mol2
Reference
2917
Num Hdonors
6
Tcm Name En
Linear Stonecrop
Drug Likeness
0.302
Num Hacceptors
11
Isomeric Smiles
COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Formula
C22H22O11
Num Rotatable Bonds
5