Glycoside
GD115507
Name:
8-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]methyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C43H40O20Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(Cc3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.3 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 876.77 | Num_heavy_atoms: | 63 |
| TPSA: | 362.1 | NumAromaticRings: | 6 |
Unique Aglycone
AD45705
Formula: C31H20O10
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.03 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.49 | Num_heavy_atoms: | 41 |
| TPSA: | 181.8 | NumAromaticRings: | 6 |
