Glycoside
GD146148
Name:
NoneFormula:
C43H51O24Smiles:
COc1cc(C=CC(O)OCC2OC(OCC3OC(Oc4cc5c(=O)cc([OH2+])cc-5oc4-c4ccc(O)c(O)c4)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C=CC(O)OC)cc(OC)c1O.O=c1cc([OH2+])cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2Sugarmoiety:
OC1COC(OC2C(O)OC(COC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.47 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 15 |
| MolWt: | 951.86 | Num_heavy_atoms: | 67 |
| TPSA: | 378.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD50822
Formula: C15H11O6
Smiles:
O=c1cc([OH2+])cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.25 | Num_heavy_atoms: | 21 |
| TPSA: | 113.8 | NumAromaticRings: | 1 |
AD58621
Formula: C12H16O5
Smiles:
COc1cc(C=CC(O)OC)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 68.15 | NumAromaticRings: | 1 |
