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
- 20370
- Core Entity Id
- 25821
- Source Entity Count
- 1
- Preferred Name
- Glochidacuminoside c
- Name En
- Pubchem Id
- 21577091
- Smiles Canonical
- C1CC(=CCC1O)CC(=O)OCC2C(C(C(C(O2)OC(=O)CC3=CCC(CC3)O)O)O)O
- Molecular Formula
- C22H32O10
- Molecular Weight
- 456.4880
- Inchikey
- DSTVWMFPWBECRJ-BMQHGUCVSA-N
- Inchi
- InChI=1S/C22H32O10/c23-14-5-1-12(2-6-14)9-17(25)30-11-16-19(27)20(28)21(29)22(31-16)32-18(26)10-13-3-7-15(24)8-4-13/h1,3,14-16,19-24,27-29H,2,4-11H2/t14-,15-,16-,19-,20+,21-,22+/m1/s1
- Isomeric Smiles
- C1CC(=CC[C@H]1O)CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)CC3=CC[C@H](CC3)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3970
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochidacuminoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glochidacuminoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
glochidacuminoside c
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027974
Npass
NPC65599
Tcmid
8560
Pub Chem
21577091
Tcmbank
TCMBANKIN044642
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O10/c23-14-5-1-12(2-6-14)9-17(25)30-11-16-19(27)20(28)21(29)22(31-16)32-18(26)10-13-3-7-15(24)8-4-13/h1,3,14-16,19-24,27-29H,2,4-11H2/t14-,15-,16-,19-,20+,21-,22+/m1/s1
Mol Wt
456.4880000000003
Smiles
C1CC(=CCC1O)CC(=O)OCC2C(C(C(C(O2)OC(=O)CC3=CCC(CC3)O)O)O)O
Mol Log P
-0.3969999999999996
In Ch Ikey
DSTVWMFPWBECRJ-BMQHGUCVSA-N
Mol2 Path
/TCM_database/2007_3d_all/08561.mol2
Reference
4286
Num Hdonors
5
Drug Likeness
0.252
Num Hacceptors
10
Isomeric Smiles
C1CC(=CC[C@H]1O)CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)CC3=CC[C@H](CC3)O)O)O)O
Canonical Smiles
C1CC(=CCC1O)CC(=O)OCC2C(C(C(C(O2)OC(=O)CC3=CCC(CC3)O)O)O)O
Molecular Weight
456.5 g/mol
Molecular Formula
C22H32O10
Molecular Formula
C22H32O10
Num Rotatable Bonds
7