Glycoside
GD120180
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-7-yl 3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C36H36O18Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)Oc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
O=C(C=Cc1ccc(O)cc1)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.67 | Num_heavy_atoms: | 54 |
| TPSA: | 295.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD44961
Formula: C24H16O8
Smiles:
O=C(C=Cc1ccc(O)cc1)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 32 |
| TPSA: | 137.43 | NumAromaticRings: | 4 |
