Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16785
- Core Entity Id
- 21826
- Source Entity Count
- 1
- Preferred Name
- Derriscanoside a
- Name En
- Pubchem Id
- 91666352
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)OC)O)O)O)O)O)O
- Molecular Formula
- C28H32O13
- Molecular Weight
- 576.5510
- Inchikey
- ZSCRYAYQFLBRDF-ZUTPBCDKSA-N
- Inchi
- InChI=1S/C28H32O13/c1-12-20(29)23(32)25(34)27(39-12)38-11-19-22(31)24(33)26(35)28(41-19)40-15-7-8-16-18(9-15)37-10-17(21(16)30)13-3-5-14(36-2)6-4-13/h3-10,12,19-20,22-29,31-35H,11H2,1-2H3/t12-,19+,20-,22+,23+,24-,25+,26+,27+,28+/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)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)OC)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.5009
- Num H Donors
- 6
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Derriscanoside A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Derriscanoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Derriscanoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
derriscanoside a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methoxyisoflavone-7-O-(I+--L-rhamnopyranosyl(1->6))-I2-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methoxyisoflavone-7-O-(I+--L-rhamnopyranosyl(1->6))-I2-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Methoxyisoflavone-7-O-(a-L-rhamnopyranosyl(1->6))-b-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Methoxyisoflavone-7-O-(alpha-L-rhamnopyranosyl(1->6))-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methoxyisoflavone-7-O-[a-L-rhamnopyranosyl(1->6)]-b-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-methoxyisoflavone-7-O-[alpha-L-rhamnopyranosyl(1->6)]-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:85135
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:85135
Role
alias
Source
itcmdb_public
Preferred
No
Name
Derriscannoside A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Derriscannoside A
Role
alias
Source
HERB_v2
Preferred
No
Name
Formononetin 7-O-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Formononetin 7-O-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside4'-Methoxyisoflavone-7-O-(I+--L-rhamnopyranosyl(1->6))-I2-D-glucopyranoside4'-Methoxyisoflavone-7-O-(a-L-rhamnopyranosyl(1->6))-b-D-glucopyranoside4'-Methoxyisoflavone-7-O-(alpha-L-rhamnopyranosyl(1->6))-beta-D-glucopyranoside4'-Methoxyisoflavone-7-O-[a-L-rhamnopyranosyl(1->6)]-b-D-glucopyranoside4'-methoxyisoflavone-7-O-[alpha-L-rhamnopyranosyl(1->6)]-beta-D-glucopyranosideCHEBI:85135Derriscannoside AFormononetin 7-O-rutinoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023415
Npass
NPC20006
Tcmid
5226
Pub Chem
91666352
Tcmbank
TCMBANKIN006173
Etcm Ingredient
Derriscanoside A
Itcmdb Generated
ITX-INGREDIENT-C96A8DCA9104
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H32O13/c1-12-20(29)23(32)25(34)27(39-12)38-11-19-22(31)24(33)26(35)28(41-19)40-15-7-8-16-18(9-15)37-10-17(21(16)30)13-3-5-14(36-2)6-4-13/h3-10,12,19-20,22-29,31-35H,11H2,1-2H3/t12-,19+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Mol Wt
576.5510000000005
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)OC)O)O)O)O)O)O
Mol Log P
-0.5008999999999999
In Ch Ikey
ZSCRYAYQFLBRDF-ZUTPBCDKSA-N
Num Hdonors
6
Drug Likeness
0.211
Num Hacceptors
13
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)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)OC)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)OC)O)O)O)O)O)O
Herb Alias Names
Formononetin 7-O-rutinosideCHEBI:851354'-methoxyisoflavone-7-O-[alpha-L-rhamnopyranosyl(1->6)]-beta-D-glucopyranoside3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside4'-Methoxyisoflavone-7-O-(a-L-rhamnopyranosyl(1->6))-b-D-glucopyranoside4'-Methoxyisoflavone-7-O-[a-L-rhamnopyranosyl(1->6)]-b-D-glucopyranosideDerriscannoside A4'-Methoxyisoflavone-7-O-(alpha-L-rhamnopyranosyl(1->6))-beta-D-glucopyranoside4'-Methoxyisoflavone-7-O-(I+--L-rhamnopyranosyl(1->6))-I2-D-glucopyranoside
Molecular Weight
576.180
Molecular Weight
576.5 g/mol
Molecular Formula
C28H32O13
Molecular Formula
C28H32O13
Molecular Formula
C28H32O13
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.211