Glycoside
GD158314
Name:
NoneFormula:
C21H22O13Smiles:
OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)[OH+][C]3C=C(O)C(O)=C(O)C3=C2)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.29 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 233.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD50138
Formula: C15H13O8
Smiles:
OC1=CC2[OH+]C(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.07 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 321.26 | Num_heavy_atoms: | 23 |
| TPSA: | 154.41 | NumAromaticRings: | 1 |
