Glycoside
GD031476
Name:
NoneFormula:
C34H44O19Smiles:
COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4OC[C@](C)(CO)[C@H]4O)[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:
CC1(CO)COC(OC2C(CO)OC(O)C(OC3OCC(O)(CO)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 282.21 | 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 |
