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
- 31972
- Core Entity Id
- 38727
- Source Entity Count
- 1
- Preferred Name
- Robustaside c
- Name En
- Pubchem Id
- 102478876
- Smiles Canonical
- C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C=CC3=C(C=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
- Molecular Formula
- C27H32O15
- Molecular Weight
- 596.5380
- Inchikey
- XRGREAMWWAOHEM-VSWHECHOSA-N
- Inchi
- InChI=1S/C27H32O15/c28-10-17-20(32)22(34)25(37)27(41-17)40-16-7-4-14(30)9-12(16)1-8-19(31)38-11-18-21(33)23(35)24(36)26(42-18)39-15-5-2-13(29)3-6-15/h1-9,17-18,20-30,32-37H,10-11H2/b8-1+/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=C(C=CC(=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.2805
- Num H Donors
- 9
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.1090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Robustaside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Robustaside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Robustaside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
银桦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Robust Silk Oak
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银桦YIN HUARobust Silk Oak
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042375
Tcmid
18864
Pub Chem
102478876
Tcmbank
TCMBANKIN040223
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H32O15/c28-10-17-20(32)22(34)25(37)27(41-17)40-16-7-4-14(30)9-12(16)1-8-19(31)38-11-18-21(33)23(35)24(36)26(42-18)39-15-5-2-13(29)3-6-15/h1-9,17-18,20-30,32-37H,10-11H2/b8-1+/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
Mol Wt
596.5380000000005
Mol Log P
-2.2805
In Ch Ikey
XRGREAMWWAOHEM-VSWHECHOSA-N
Tcm Name
银桦
Tcm Name2
YIN HUA
Mol2 Path
/TCM_database/2007_3d_all/18879.mol2
Reference
3905
Num Hdonors
9
Tcm Name En
Robust Silk Oak
Drug Likeness
0.109
Num Hacceptors
15
Isomeric Smiles
C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=C(C=CC(=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C=CC3=C(C=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Molecular Formula
C27H32O15
Num Rotatable Bonds
9