Glycoside
GD115869
Name:
PalicosideFormula:
C27H34O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1c2[nH]c3ccccc3c2CCN1CAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1c2[nH]c3ccccc3c2CCN1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD45915
Formula: C21H24O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1c2[nH]c3ccccc3c2CCN1C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
