Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16451
- Core Entity Id
- 21454
- Source Entity Count
- 1
- Preferred Name
- Dehydrodiconiferylalcohol-gamma-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 14729916
- Smiles Canonical
- COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CCOC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C26H32O11
- Molecular Weight
- 520.5310
- Inchikey
- DNLHOETWTCLNEI-AQRJENMISA-N
- Inchi
- InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)29)24-16(11-27)15-8-13(9-19(34-2)25(15)37-24)4-3-7-35-26-23(32)22(31)21(30)20(12-28)36-26/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3+/t16-,20-,21-,22+,23-,24+,26-/m1/s1
- Isomeric Smiles
- COC1=CC(=CC2=C1O[C@H]([C@@H]2CO)C3=CC(=C(C=C3)O)OC)/C=C/CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4487
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydrodiconiferylalcohol-gamma-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dehydrodiconiferylalcohol-gamma-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023015
Npass
NPC144628
Tcmid
3830538317
Pub Chem
14729916
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)29)24-16(11-27)15-8-13(9-19(34-2)25(15)37-24)4-3-7-35-26-23(32)22(31)21(30)20(12-28)36-26/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3+/t16-,20-,21-,22+,23-,24+,26-/m1/s1
Mol Wt
520.5310000000003
Mol Log P
0.4486999999999993
In Ch Ikey
DNLHOETWTCLNEI-AQRJENMISA-N
Num Hdonors
6
Drug Likeness
0.272
Num Hacceptors
11
Isomeric Smiles
COC1=CC(=CC2=C1O[C@H]([C@@H]2CO)C3=CC(=C(C=C3)O)OC)/C=C/CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CCOC4C(C(C(C(O4)CO)O)O)O
Molecular Formula
C26H32O11
Num Rotatable Bonds
9