Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20379
- Core Entity Id
- 25831
- Source Entity Count
- 1
- Preferred Name
- Glochiflavanoside a
- Name En
- Pubchem Id
- 11812840
- Smiles Canonical
- COC1=CC(=CC2=C1CC(C(O2)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C23H28O11
- Molecular Weight
- 480.4660
- Inchikey
- VEBSPWFAJLIEQM-JJGPTOORSA-N
- Inchi
- InChI=1S/C23H28O11/c1-30-15-6-11(32-23-21(29)20(28)19(27)18(9-24)34-23)7-16-12(15)8-14(26)22(33-16)10-3-4-13(25)17(5-10)31-2/h3-7,14,18-29H,8-9H2,1-2H3/t14-,18+,19+,20-,21+,22+,23+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC2=C1C[C@@H]([C@H](O2)C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3748
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochiflavanoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glochiflavanoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
glochiflavanoside a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027984
Npass
NPC48535
Tcmid
8570
Pub Chem
11812840
Tcmbank
TCMBANKIN039475
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H28O11/c1-30-15-6-11(32-23-21(29)20(28)19(27)18(9-24)34-23)7-16-12(15)8-14(26)22(33-16)10-3-4-13(25)17(5-10)31-2/h3-7,14,18-29H,8-9H2,1-2H3/t14-,18+,19+,20-,21+,22+,23+/m0/s1
Mol Wt
480.4660000000002
Smiles
COC1=CC(=CC2=C1CC(C(O2)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O
Mol Log P
-0.3747999999999997
In Ch Ikey
VEBSPWFAJLIEQM-JJGPTOORSA-N
Mol2 Path
/TCM_database/2007_3d_all/08571.mol2
Reference
4103
Num Hdonors
6
Drug Likeness
0.319
Num Hacceptors
11
Isomeric Smiles
COC1=CC(=CC2=C1C[C@@H]([C@H](O2)C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
COC1=CC(=CC2=C1CC(C(O2)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O
Molecular Weight
480.5 g/mol
Molecular Formula
C23H28O11
Molecular Formula
C23H28O11
Num Rotatable Bonds
6