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
- 7387
- Core Entity Id
- 11393
- Source Entity Count
- 1
- Preferred Name
- 6,8-di-c-beta-d-glucopyranosyl-chrysoeriol
- Name En
- Pubchem Id
- 14730446
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
- Molecular Formula
- C28H32O16
- Molecular Weight
- 624.5480
- Inchikey
- AXXQQGBQPBSIBA-BPZUQCIGSA-N
- Inchi
- InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3/t13-,14-,18-,19-,22+,23+,24-,25-,27+,28+/m1/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3848
- Num H Donors
- 11
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,8-Di-C-Beta-D-Glucopyranosyl-Chrysoeriol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6,8-Di-C-Beta-D-Glucopyranosyl-Chrysoeriol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6,8-di-C-beta-D-glucopyranosyl-chrysoeriol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,8-di-c-beta-d-glucopyranosyl-chrysoeriol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6,8-di-c-beta-d-glucopyranosyl-chrysoeriol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
63975-58-6
Role
alias
Source
HERB_v2
Preferred
No
Name
63975-58-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601346904
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601346904
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stellarin 2
Role
alias
Source
HERB_v2
Preferred
No
Name
Stellarin 2
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one63975-58-6DTXSID601346904Stellarin 2
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012109
Tcmid
41471
Sym Map
SMIT21817
Pub Chem
14730446
Tcmbank
TCMBANKIN008194
Itcmdb Generated
ITX-INGREDIENT-FB9B1D64215F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3/t13-,14-,18-,19-,22+,23+,24-,25-,27+,28+/m1/s1
Mol Wt
624.5480000000005
Smiles
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
Mol Log P
-2.384799999999999
Version
v2
In Ch Ikey
AXXQQGBQPBSIBA-BPZUQCIGSA-N
Suppress
0
Num Hdonors
11
Drug Likeness
0.136
Num Hacceptors
16
Isomeric Smiles
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
Herb Alias Names
Stellarin 263975-58-65,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-oneDTXSID601346904
Molecular Formula
C28H32O16
Molecular Formula
C28H32O16
Num Rotatable Bonds
6