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
- 15347
- Core Entity Id
- 20225
- Source Entity Count
- 1
- Preferred Name
- Crassifoside a
- Name En
- Pubchem Id
- 101733178
- Smiles Canonical
- C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
- Molecular Formula
- C23H22O11
- Molecular Weight
- 474.4180
- Inchikey
- VFAKUDSOSMPFGG-DODNOZFWSA-N
- Inchi
- InChI=1S/C23H22O11/c24-8-18-20(30)21(31)22(32)23(34-18)33-11-3-10-5-16(27)17(28)7-12(10)13(6-11)19(29)9-1-2-14(25)15(26)4-9/h1-7,18,20-28,30-32H,8H2/t18-,20-,21+,22-,23-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0719
- Num H Donors
- 8
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Crassifoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Crassifoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
crassifoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3,4-dihydroxyphenyl)[3-(beta-d-glucopyranosyloxy)6,7-dihydroxynaphthalen-1-yl]methanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3,4-dihydroxyphenyl)[3-(beta-d-glucopyranosyloxy)6,7-dihydroxynaphthalen-1-yl]methanone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3,4-dihydroxyphenyl)[3-(beta-d-glucopyranosyloxy)6,7-dihydroxynaphthalen-1-yl]methanone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021651
Npass
NPC222088
Tcmid
34905
Pub Chem
101733178
Tcmbank
TCMBANKIN013283
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H22O11/c24-8-18-20(30)21(31)22(32)23(34-18)33-11-3-10-5-16(27)17(28)7-12(10)13(6-11)19(29)9-1-2-14(25)15(26)4-9/h1-7,18,20-28,30-32H,8H2/t18-,20-,21+,22-,23-/m1/s1
Mol Wt
474.4180000000001
Smiles
C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
Mol Log P
0.0719000000000013
In Ch Ikey
VFAKUDSOSMPFGG-DODNOZFWSA-N
Num Hdonors
8
Drug Likeness
0.184
Num Hacceptors
11
Isomeric Smiles
C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
Herb Alias Names
(3,4-dihydroxyphenyl)[3-(beta-d-glucopyranosyloxy)6,7-dihydroxynaphthalen-1-yl]methanone
Molecular Weight
474.4 g/mol
Molecular Formula
C23H22O11
Molecular Formula
C23H22O11
Num Rotatable Bonds
5