Text Search
Structure Search

1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

CAS: 18916-17-1

Formula: C27H34O14

SMILES: CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O

IUPAC: 1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

InChI: InChI=1/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3

Composition: C (55.67%), H (5.88%), O (38.45%)

Molar Mass: 582.555

Atom Count: 75

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 10
Exact Mass 582.194855775
Formal Charge 0
FSP3 0.52
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 9
InChIKey CWBZAESOUBENAP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 136.72
Topological Polar Surface Area 236.06
Polarizability 54.76
Ring Count 4
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 18916-17-1 Quote Only