Glycoside
GD145942
Name:
DolichantosideFormula:
C28H36O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CCN1CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CCN1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.6 | Num_heavy_atoms: | 39 |
| TPSA: | 153.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD58551
Formula: C22H26O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CCN1C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.46 | Num_heavy_atoms: | 28 |
| TPSA: | 74.79 | NumAromaticRings: | 2 |
