Glycoside
GD124049
Name:
NoneFormula:
C26H30O15Smiles:
O[C]1C=C(O)C=C2[OH+]C(c3ccc(O)c(O)c3)=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C=C12Aglycone:
OC1=CC(O)C2=CC(O)=C(c3ccc(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 252.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD45227
Formula: C15H13O6
Smiles:
OC1=CC(O)C2=CC(O)=C(c3ccc(O)c(O)c3)[OH+]C2=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
