Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31997
- Core Entity Id
- 38754
- Source Entity Count
- 1
- Preferred Name
- Romucosine g
- Name En
- Pubchem Id
- 10550521
- Smiles Canonical
- COC1=C(C=C2C(=C1)CC3C4=C2C(=C(C(=C4CCN3C(=O)OC)OC)OC)OC)OC
- Molecular Formula
- C23H27NO7
- Molecular Weight
- 429.4690
- Inchikey
- OHIWUCGEMVKNTO-HNNXBMFYSA-N
- Inchi
- InChI=1S/C23H27NO7/c1-26-16-10-12-9-15-18-13(7-8-24(15)23(25)31-6)20(28-3)22(30-5)21(29-4)19(18)14(12)11-17(16)27-2/h10-11,15H,7-9H2,1-6H3/t15-/m0/s1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)C[C@H]3C4=C(CCN3C(=O)OC)C(=C(C(=C24)OC)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.6183
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Romucosine g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Romucosine g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
romucosine g
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Romucosine G
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042402
Tcmid
1889135584
Pub Chem
10550521
Tcmbank
TCMBANKIN038570
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H27NO7/c1-26-16-10-12-9-15-18-13(7-8-24(15)23(25)31-6)20(28-3)22(30-5)21(29-4)19(18)14(12)11-17(16)27-2/h10-11,15H,7-9H2,1-6H3/t15-/m0/s1
Mol Wt
429.4690000000002
Smiles
COC1=C(C=C2C(=C1)CC3C4=C2C(=C(C(=C4CCN3C(=O)OC)OC)OC)OC)OC
Mol Log P
3.618300000000002
In Ch Ikey
OHIWUCGEMVKNTO-HNNXBMFYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18906.mol2
Reference
1521
Num Hdonors
0
Drug Likeness
0.719
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C2C(=C1)C[C@H]3C4=C(CCN3C(=O)OC)C(=C(C(=C24)OC)OC)OC)OC
Canonical Smiles
COC1=C(C=C2C(=C1)CC3C4=C(CCN3C(=O)OC)C(=C(C(=C24)OC)OC)OC)OC
Molecular Formula
C23H27NO7
Molecular Formula
C23H27NO7
Num Rotatable Bonds
5