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
- 29006
- Core Entity Id
- 35426
- Source Entity Count
- 1
- Preferred Name
- Palustrinoside
- Name En
- Pubchem Id
- 44258409
- Smiles Canonical
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
- Molecular Formula
- C22H20O11
- Molecular Weight
- 460.3910
- Inchikey
- RXOPIWRTYRCEMW-BCWMXOPMSA-N
- Inchi
- InChI=1S/C22H20O11/c1-30-13-8-12-14(10(23)7-11(31-12)9-5-3-2-4-6-9)19(15(13)24)32-22-18(27)16(25)17(26)20(33-22)21(28)29/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/t16-,17-,18?,20?,22+/m0/s1
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4452
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Palustrinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Palustrinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
palustrinoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
LMPK12111087
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111087
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
LMPK12111087
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038716
Npass
NPC83773
Tcmid
16564
Pub Chem
44258409
Tcmbank
TCMBANKIN033741
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H20O11/c1-30-13-8-12-14(10(23)7-11(31-12)9-5-3-2-4-6-9)19(15(13)24)32-22-18(27)16(25)17(26)20(33-22)21(28)29/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/t16-,17-,18?,20?,22+/m0/s1
Mol Wt
460.3910000000001
Smiles
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Mol Log P
0.4452000000000001
In Ch Ikey
RXOPIWRTYRCEMW-BCWMXOPMSA-N
Num Hdonors
5
Drug Likeness
0.357
Num Hacceptors
10
Isomeric Smiles
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O
Canonical Smiles
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Herb Alias Names
LMPK12111087
Molecular Weight
460.4 g/mol
Molecular Formula
C22H20O11
Molecular Formula
C22H20O11
Num Rotatable Bonds
5