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
- 15348
- Core Entity Id
- 20227
- Source Entity Count
- 1
- Preferred Name
- Crassifoside d
- Name En
- Pubchem Id
- 102387135
- Smiles Canonical
- C1C=C(C2=CC(=C(C=C2C(C1OC3C(C(C(C(O3)CO)O)O)O)O)O)O)C4=CC(=C(C=C4)O)O
- Molecular Formula
- C23H26O11
- Molecular Weight
- 478.4500
- Inchikey
- GNVCAVGOJWFZOD-XRWAXFQNSA-N
- Inchi
- InChI=1S/C23H26O11/c24-8-18-20(30)21(31)22(32)23(34-18)33-17-4-2-10(9-1-3-13(25)14(26)5-9)11-6-15(27)16(28)7-12(11)19(17)29/h1-3,5-7,17-32H,4,8H2/t17-,18-,19-,20-,21+,22-,23-/m1/s1
- Isomeric Smiles
- C1C=C(C2=CC(=C(C=C2[C@H]([C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)C4=CC(=C(C=C4)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4371
- Num H Donors
- 9
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Crassifoside d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Crassifoside d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
crassifoside D
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021652
Npass
NPC18124
Tcmid
34904
Pub Chem
102387135
Tcmbank
TCMBANKIN012640
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H26O11/c24-8-18-20(30)21(31)22(32)23(34-18)33-17-4-2-10(9-1-3-13(25)14(26)5-9)11-6-15(27)16(28)7-12(11)19(17)29/h1-3,5-7,17-32H,4,8H2/t17-,18-,19-,20-,21+,22-,23-/m1/s1
Mol Wt
478.4500000000001
Smiles
C1C=C(C2=CC(=C(C=C2C(C1OC3C(C(C(C(O3)CO)O)O)O)O)O)O)C4=CC(=C(C=C4)O)O
Mol Log P
-0.4371
In Ch Ikey
GNVCAVGOJWFZOD-XRWAXFQNSA-N
Num Hdonors
9
Drug Likeness
0.258
Num Hacceptors
11
Isomeric Smiles
C1C=C(C2=CC(=C(C=C2[C@H]([C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)C4=CC(=C(C=C4)O)O
Canonical Smiles
C1C=C(C2=CC(=C(C=C2C(C1OC3C(C(C(C(O3)CO)O)O)O)O)O)O)C4=CC(=C(C=C4)O)O
Molecular Weight
478.4 g/mol
Molecular Formula
C23H26O11
Molecular Formula
C23H26O11
Num Rotatable Bonds
4