IngredientID 8526
7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol
C29H36O14
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8526
- Core Entity Id
- 12646
- Source Entity Count
- 1
- Preferred Name
- 7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol
- Name En
- Pubchem Id
- 637072
- Smiles Canonical
- CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O
- Molecular Formula
- C29H36O14
- Molecular Weight
- 608.5930
- Inchikey
- SBEVOVWWSQLCJK-JOFSYXLSSA-N
- Inchi
- InChI=1S/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18+,21+,22-,23+,26-,27-,28+,29+/m0/s1
- Isomeric Smiles
- CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O)C)O[C@@H](CC2=O)C5=CC=C(C=C5)OC)O
- Cas Id
- Ob Score
- Mol Logp
- -0.6323
- Num H Donors
- 7
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-O-bata-D-Apiofuranosyl-(1-6)-beta-D-glucopyranosylmatteucinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-O-bata-D-Apiofuranosyl-(1-6)-beta-D-glucopyranosylmatteucinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
DU JUAN HUA YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indiap AzaIea Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
DU JUAN HUA YEIndiap AzaIea Leaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013382
Tcmid
151230619
Pub Chem
637072
Tcmbank
TCMBANKIN016324
Etcm Ingredient
7-O-bata-D-Apiofuranosyl-(1-6)-beta-D-glucopyranosylmatteucinol
Itcmdb Generated
ITX-INGREDIENT-F33302898B65ITX-INGREDIENT-F47389936469
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18+,21+,22-,23+,26-,27-,28+,29+/m0/s1
Mol Wt
608.5930000000003
Mol Log P
-0.6322599999999998
In Ch Ikey
SBEVOVWWSQLCJK-JOFSYXLSSA-N
Tcm Name2
DU JUAN HUA YE
Reference
749
Num Hdonors
7
Tcm Name En
Indiap AzaIea Leaf
Drug Likeness
0.199
Num Hacceptors
14
Isomeric Smiles
CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O)C)O[C@@H](CC2=O)C5=CC=C(C=C5)OC)O
Canonical Smiles
CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O
Molecular Weight
608.210
Molecular Formula
C29H36O14
Molecular Formula
C29H36O14
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.199