Basic information
- CAS
142809-89-0- Standard SMILES
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1- InChIKey
PCWTUTJLXXOQPR-UHFFFAOYSA-N- Molecular formula
- C48H78O19
- Average molar mass
- 959.1 g/mol
- Monoisotopic mass
- 958.51373025
Overview
structure given in first source; isolated from Clinopodium polycephalum
Names & identifiers
- Preferred name
- Clinopodiside A
- IUPAC
- 2-[[4,5-dihydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- Clinopodiside A
- Molecular formula
- C48H78O19
- Molecular weight
- 959.125
Names & synonyms
Clinopodiside A142809-89-0RefChem:1269832-[[4,5-dihydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolClinodiside A [M+H]+SCHEMBL28783915DTXSID30931651AKOS030573664FC74377DA-6239216,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl hexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]hexopyranosideClinopodisid A
Show more names
β-D-Glucopyranoside, (3β,4α,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 318 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 11
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,830
Physicochemical properties
- Boiling point
- 1073.2 · 1073.2±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 12.76 · 12.76±0.70(Predicted)
- InChIKey
- WNYZLIRDRWECKZ-WKVCXRDXSA-N
- SMILES
- OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1(C2C(C3[C@](C)(CC2)C2[C@@]([C@]4(C(C=C2)=C2[C@@](CCC(C2)(C)C)(CO)C(O)C4)C)(C)CC3)(C)CO)OC(CO)C(C(C1O)O)O
Chemistry & industry
Applications
DescriptionClinopodiside A is a natural product from Clinopodium chinense.
UsesClinopodiside A, a triterpenoid saponin, is isolated from Clinopodium polycephalum which is a popular Chinese traditional medicinal herb[1][2].
Suppliers29 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
成都标样生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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