Glycoside
GD026789
Name:
NoneFormula:
C27H32O13Smiles:
COc1c(O)cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1OCAglycone:
COc1c(O)cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD17645
Formula: C21H22O8
Smiles:
COc1c(O)cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)c(O)c1OC| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
