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
- 7847
- Core Entity Id
- 11896
- Source Entity Count
- 1
- Preferred Name
- 6-o-alpha-l-rhamnopyranosylcatalpol
- Name En
- Pubchem Id
- 102252680
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)O)O)O)O
- Molecular Formula
- C21H32O14
- Molecular Weight
- 508.4730
- Inchikey
- XWHPACFHIYSUJO-PVTVHPEKSA-N
- Inchi
- InChI=1S/C21H32O14/c1-6-10(23)13(26)15(28)19(32-6)31-4-8-12(25)14(27)16(29)20(33-8)34-18-9-7(2-3-30-18)11(24)17-21(9,5-22)35-17/h2-3,6-20,22-29H,4-5H2,1H3/t6-,7+,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19+,20-,21+/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)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -4.7385
- Num H Donors
- 8
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-o-alpha-l-rhamnopyranosylcatalpol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-o-alpha-l-rhamnopyranosylcatalpol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012634
Npass
NPC31822
Tcmid
18679
Pub Chem
102252680
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H32O14/c1-6-10(23)13(26)15(28)19(32-6)31-4-8-12(25)14(27)16(29)20(33-8)34-18-9-7(2-3-30-18)11(24)17-21(9,5-22)35-17/h2-3,6-20,22-29H,4-5H2,1H3/t6-,7+,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19+,20-,21+/m0/s1
Mol Wt
508.4730000000002
Mol Log P
-4.738499999999993
In Ch Ikey
XWHPACFHIYSUJO-PVTVHPEKSA-N
Num Hdonors
8
Drug Likeness
0.158
Num Hacceptors
14
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)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)O)O)O)O
Molecular Formula
C21H32O14
Num Rotatable Bonds
6