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
- 65385
- Core Entity Id
- 128034
- Source Entity Count
- 1
- Preferred Name
- (2-hydroxypropyl)-gamma-cyclodextrin
- Name En
- Pubchem Id
- 131635392
- Smiles Canonical
- CC(COCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CO)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)CO)CO)O)O)O
- Molecular Formula
- C72H128O48
- Molecular Weight
- 1760.7600
- Inchikey
- YPWZFSMZSNIVAQ-UHWSPLBMSA-N
- Inchi
- InChI=1S/C63H110O45/c1-19(67)9-88-14-27-51-35(75)43(83)59(96-27)102-49-25(7-65)93-56(40(80)32(49)72)101-48-24(6-64)94-57(41(81)33(48)73)105-52-28(15-89-10-20(2)68)98-61(45(85)37(52)77)107-54-30(17-91-12-22(4)70)100-63(47(87)39(54)79)108-55-31(18-92-13-23(5)71)99-62(46(86)38(55)78)106-53-29(16-90-11-21(3)69)97-60(44(84)36(53)76)103-50-26(8-66)95-58(104-51)42(82)34(50)74/h19-87H,6-18H2,1-5H3/t19?,20?,21?,22?,23?,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -15.7000
- Num H Donors
- 24
- Num H Acceptors
- 45
- Num Rotatable Bonds
- 23
- Drug Likeness
- Polar Surface Area
- 679.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2-hydroxypropyl)-gamma-cyclodextrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2-hydroxypropyl)-gamma-cyclodextrin
Itcmdb Generated
ITX-INGREDIENT-F572D02E9468
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
1760.760
Molecular Formula
C72H128O48
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.030