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: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37533
- Core Entity Id
- 56423
- Source Entity Count
- 1
- Preferred Name
- 10r-chrysaloin 1-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 21577055
- Smiles Canonical
- CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C(C(C(C(O5)CO)O)O)O)C=CC=C4O
- Molecular Formula
- C27H32O13
- Molecular Weight
- 564.5400
- Inchikey
- BMRYROKWSINDNV-OPEXUXIQSA-N
- Inchi
- InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-12(30)17(10)21(33)18(11)13(6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
- Isomeric Smiles
- CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=CC=C4O
- Cas Id
- Ob Score
- Mol Logp
- -2.6020
- Num H Donors
- 9
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10R-Chrysaloin 1-O--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10r-chrysaloin 1-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10r-chrysaloin 1-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
10R-Chrysaloin 1-O--beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000196
Tcmid
3590
Pub Chem
21577055
Etcm Ingredient
10R-Chrysaloin 1-O--beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-8CC216E89624
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-12(30)17(10)21(33)18(11)13(6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Mol Wt
564.5400000000003
Mol Log P
-2.601979999999997
In Ch Ikey
BMRYROKWSINDNV-OPEXUXIQSA-N
Num Hdonors
9
Drug Likeness
0.182
Num Hacceptors
13
Isomeric Smiles
CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=CC=C4O
Canonical Smiles
CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C(C(C(C(O5)CO)O)O)O)C=CC=C4O
Molecular Weight
564.180
Molecular Formula
C27H32O13
Molecular Formula
C27H32O13
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.158