Glycoside
GD114685
Name:
5,7-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]methyl}-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C43H40O19Smiles:
O=c1c(C2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)c(Cc3cc(C4OC(CO)C(O)C(O)C4O)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(Cc3ccc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.3 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 860.77 | Num_heavy_atoms: | 62 |
| TPSA: | 341.87 | NumAromaticRings: | 6 |
Unique Aglycone
AD45214
Formula: C31H20O9
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(Cc3ccc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c12| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.03 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.49 | Num_heavy_atoms: | 40 |
| TPSA: | 161.57 | NumAromaticRings: | 6 |
