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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-(3-hydroxy-4-methoxyphenyl)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-(3-hydroxy-4-methoxyphenyl)propan-1-one

CAS: 20702-77-6

Formula: C28H36O15

SMILES: COC1=C(O)C=C(CCC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O)C=C1

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-(3-hydroxy-4-methoxyphenyl)propan-1-one

InChI: InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3

Composition: C (54.90%), H (5.92%), O (39.18%)

Molar Mass: 612.581

Atom Count: 79

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 10
Exact Mass 612.205420459
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 9
InChIKey ITVGXXMINPYUHD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 143.18
Topological Polar Surface Area 245.29
Polarizability 57.32
Ring Count 4
Rotatable Bond Count 10

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