Glycoside
GD037425
Name:
NoneFormula:
C28H31O10NSmiles:
O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12Aglycone:
O=C(Nc1ccc(Oc2ccccc2)cc1)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.55 | Num_heavy_atoms: | 39 |
| TPSA: | 167.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD23580
Formula: C22H21O5N
Smiles:
O=C(Nc1ccc(Oc2ccccc2)cc1)C1=COC(O)C2C(CO)=CCC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.41 | Num_heavy_atoms: | 28 |
| TPSA: | 88.02 | NumAromaticRings: | 2 |
