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4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one

4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one

Formula: C27H34O11

SMILES: COC1=C(OC)C=C(CC2COC(=O)C2CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=C1

IUPAC: 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one

InChI: InChI=1/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3

Composition: C (60.67%), H (6.41%), O (32.92%)

Molar Mass: 534.558

Atom Count: 72

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 7
Exact Mass 534.210111915
Formal Charge 0
FSP3 0.52
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
InChIKey XOJVHLIYNSOZOO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 132.26
Topological Polar Surface Area 153.37
Polarizability 52.88
Ring Count 4
Rotatable Bond Count 10

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