Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19250
- Core Entity Id
- 24576
- Source Entity Count
- 1
- Preferred Name
- Flavone glycoside
- Name En
- Pubchem Id
- 5481244
- Smiles Canonical
- CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
- Molecular Formula
- C30H34O17
- Molecular Weight
- 666.5850
- Inchikey
- VBCCJKCJAPOPNY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H34O17/c1-11(32)42-10-21-24(37)26(39)28(47-29-27(40)25(38)23(36)20(9-31)45-29)30(46-21)43-13-6-15(34)22-16(35)8-17(44-19(22)7-13)12-3-4-14(33)18(5-12)41-2/h3-8,20-21,23-31,33-34,36-40H,9-10H2,1-2H3
- Isomeric Smiles
- CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.5465
- Num H Donors
- 8
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.1200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavone glycoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Flavone glycoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
flavone glycoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026553
Npass
NPC67517
Tcmid
23883
Tcm Id
4351
Pub Chem
5481244
Tcmbank
TCMBANKIN033386
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H34O17/c1-11(32)42-10-21-24(37)26(39)28(47-29-27(40)25(38)23(36)20(9-31)45-29)30(46-21)43-13-6-15(34)22-16(35)8-17(44-19(22)7-13)12-3-4-14(33)18(5-12)41-2/h3-8,20-21,23-31,33-34,36-40H,9-10H2,1-2H3
Mol Wt
666.5850000000006
Smiles
CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Mol Log P
-1.5465
In Ch Ikey
VBCCJKCJAPOPNY-UHFFFAOYSA-N
Num Hdonors
8
Drug Likeness
0.12
Num Hacceptors
17
Isomeric Smiles
CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Canonical Smiles
CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
Molecular Weight
0
Molecular Formula
C30H34O17
Molecular Formula
C30H34O17
Num Rotatable Bonds
9