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
- 31284
- Core Entity Id
- 37959
- Source Entity Count
- 1
- Preferred Name
- Quercetin-3-beta-d-gluco-7-alpha-l-rhamnoside
- Name En
- Pubchem Id
- 11968883
- Smiles Canonical
- CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
- Molecular Formula
- C27H30O16
- Molecular Weight
- 610.5210
- Inchikey
- OTUCXMIQUNROBJ-TTXGJUHDSA-N
- Inchi
- InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,23+,26-,27+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.0382
- Num H Donors
- 10
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin-3-beta-D-gluco-7-alpha-L-rhamnoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Quercetin-3-beta-d-gluco-7-alpha-l-rhamnoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Quercetin-3-beta-d-gluco-7-alpha-l-rhamnoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
quercetin-3-beta-d-gluco-7-alpha-l-rhamnoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
quercetin-3-β-d-gluco-7-α-l-rhamnoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
quercetin-3-β-d-gluco-7-α-l-rhamnoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041525
Npass
NPC76851
Tcmid
1835231882
Pub Chem
11968883
Tcmbank
TCMBANKIN020479
Etcm Ingredient
Quercetin-3-beta-D-gluco-7-alpha-L-rhamnoside
Itcmdb Generated
ITX-INGREDIENT-C875AC513FCC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,23+,26-,27+/m0/s1
Mol Wt
610.5210000000005
Smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Mol Log P
-2.0382
In Ch Ikey
OTUCXMIQUNROBJ-TTXGJUHDSA-N
Num Hdonors
10
Drug Likeness
0.135
Num Hacceptors
16
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Molecular Weight
610.150
Molecular Formula
C27H30O16
Molecular Formula
C27H30O16
Molecular Formula
C27H30O16
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.135