Glycoside
GD028617
Name:
NoneFormula:
C28H34O16Smiles:
COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)c(OC)c1)CC2=OAglycone:
COc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(OC)c1)CC2=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD18680
Formula: C17H16O7
Smiles:
COc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(OC)c1)CC2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
