Glycoside
GD001120
Name:
NoneFormula:
C34H46O18Smiles:
COc1cc(C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)cc(OC)c1Aglycone:
COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 742.72 | Num_heavy_atoms: | 52 |
| TPSA: | 276.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD01167
Formula: C16H16O3
Smiles:
COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.3 | Num_heavy_atoms: | 19 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
