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
- 26493
- Core Entity Id
- 32636
- Source Entity Count
- 1
- Preferred Name
- Mineoside
- Name En
- Pubchem Id
- 6325697
- Smiles Canonical
- COC1=CC(=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
- Molecular Formula
- C25H30O13
- Molecular Weight
- 538.5020
- Inchikey
- NEBDAKXVJOQLGH-HKFVMCBRSA-N
- Inchi
- InChI=1S/C25H30O13/c1-33-12-4-2-11(14(28)8-12)3-5-16(29)36-21-13-6-7-34-23(17(13)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,13,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t13-,15+,17-,18+,19-,20+,21?,22?,23?,24-,25?/m0/s1
- Isomeric Smiles
- COC1=CC(=C(C=C1)/C=C/C(=O)OC2[C@H]3C=COC([C@H]3C4(C2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.6118
- Num H Donors
- 6
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mineoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mineoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mineoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mineoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
mineoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035561
Npass
NPC165981
Tcmid
31698
Sym Map
SMIT19385
Pub Chem
6325697
Tcmbank
TCMBANKIN033252
Etcm Ingredient
Mineoside
Itcmdb Generated
ITX-INGREDIENT-CA6C1E85AE51
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H30O13/c1-33-12-4-2-11(14(28)8-12)3-5-16(29)36-21-13-6-7-34-23(17(13)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,13,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t13-,15+,17-,18+,19-,20+,21?,22?,23?,24-,25?/m0/s1
Mol Wt
538.5020000000003
Smiles
COC1=CC(=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
Mol Log P
-1.611799999999999
Version
v1,v2
In Ch Ikey
NEBDAKXVJOQLGH-HKFVMCBRSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.126
Num Hacceptors
13
Isomeric Smiles
COC1=CC(=C(C=C1)/C=C/C(=O)OC2[C@H]3C=COC([C@H]3C4(C2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Canonical Smiles
COC1=CC(=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
Molecular Weight
538.170
Molecular Formula
C25H30O13
Molecular Formula
C25H30O13
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.195
Quantitative Estimate Of Drug Likeness（Qed）
0.126