ITCMDBv1
IngredientID 31971

Robustaside b

C21H22O10

Back to Browse

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
31971
Core Entity Id
38726
Source Entity Count
1
Preferred Name
Robustaside b
Name En
Pubchem Id
15689808
Smiles Canonical
C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O
Molecular Formula
C21H22O10
Molecular Weight
434.3970
Inchikey
OONDLKCAZJZRCW-CTPWMPFQSA-N
Inchi
InChI=1S/C21H22O10/c22-12-3-5-13(6-4-12)30-21-20(28)19(27)18(26)16(31-21)10-29-17(25)8-2-11-1-7-14(23)15(24)9-11/h1-9,16,18-24,26-28H,10H2/b8-2+/t16-,18-,19+,20-,21-/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=CC(=C(C=C3)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
0.2464
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
6
Drug Likeness
0.2110
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Robustaside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Robustaside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Robustaside b
Role
preferred
Source
HERB_v2
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
Name
136172-60-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
136172-60-6
Role
alias
Source
HERB_v2
Preferred
No
Name
6-O-Caffeoylarbutin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-O-Caffeoylarbutin
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030573694
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030573694
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-49946
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-49946
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401347718
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401347718
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10317
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10317
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2720
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2720
Role
alias
Source
itcmdb_public
Preferred
No
Name
RobustasideB
Role
alias
Source
itcmdb_public
Preferred
No
Name
RobustasideB
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

银桦YIN HUARobust Silk Oak136172-60-66-O-CaffeoylarbutinAKOS030573694DA-49946DTXSID401347718FS-10317HY-N2720RobustasideB[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN042374
Npass
NPC229519
Tcmid
18863
Pub Chem
15689808
Tcmbank
TCMBANKIN043049

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C21H22O10/c22-12-3-5-13(6-4-12)30-21-20(28)19(27)18(26)16(31-21)10-29-17(25)8-2-11-1-7-14(23)15(24)9-11/h1-9,16,18-24,26-28H,10H2/b8-2+/t16-,18-,19+,20-,21-/m1/s1
Mol Wt
434.397
Mol Log P
0.2463999999999991
In Ch Ikey
OONDLKCAZJZRCW-CTPWMPFQSA-N
Tcm Name
银桦
Tcm Name2
YIN HUA
Mol2 Path
/TCM_database/2007_3d_all/18878.mol2
Reference
3905
Num Hdonors
6
Tcm Name En
Robust Silk Oak
Drug Likeness
0.211
Num Hacceptors
10
Isomeric Smiles
C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O
Herb Alias Names
6-O-Caffeoylarbutin136172-60-6[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateRobustasideBDTXSID401347718HY-N2720AKOS030573694DA-49946FS-10317
Molecular Formula
C21H22O10
Num Rotatable Bonds
6