Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30333
- Core Entity Id
- 36901
- Source Entity Count
- 1
- Preferred Name
- Poliumoside
- Name En
- Pubchem Id
- 10373017
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
- Molecular Formula
- C35H46O19
- Molecular Weight
- 770.7340
- Inchikey
- YMWRMAOPKNYHMZ-LLVTZOIGSA-N
- Inchi
- InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.1641
- Num H Donors
- 11
- Num H Acceptors
- 19
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.0620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Poliumoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Poliumoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Poliumoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Poliumoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
poliumoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
poliumoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
94079-81-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
94079-81-9
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000683
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000683
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030527024
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030527024
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50241873
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50241873
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL499145
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL499145
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001319107
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001319107
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000660
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_000660
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
s1074
Role
alias
Source
HERB_v2
Preferred
No
Name
s1074
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
94079-81-9ACon1_000683AKOS030527024BDBM50241873CHEMBL499145DTXSID001319107MEGxp0_000660[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoates1074
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040391
Tcmid
33456
Sym Map
SMIT26188
Pub Chem
10373017129627394
Tcmbank
TCMBANKIN002998
Etcm Ingredient
poliumoside
Itcmdb Generated
ITX-INGREDIENT-089534D52F71ITX-INGREDIENT-89F2ED7833C6
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
In Ch I
InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
Mol Wt
770.7340000000005
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
Mol Log P
-2.164099999999995
Version
v2
In Ch Ikey
YMWRMAOPKNYHMZ-LLVTZOIGSA-N
Suppress
0
Num Hdonors
11
Drug Likeness
0.062
Num Hacceptors
19
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
Herb Alias Names
94079-81-9CHEMBL499145[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateMEGxp0_000660ACon1_000683DTXSID001319107BDBM50241873s1074AKOS030527024
Molecular Weight
770.260
Molecular Weight
770.7 g/mol
Molecular Formula
C35H46O19
Molecular Formula
C35H46O19
Molecular Formula
C35H46O19
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.062