Glycoside
GD141472
Name:
NoneFormula:
C28H35O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1C2=C(C=CN1C)c1ccccc1[NH2+]2Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1C2=C(C=CN1C)c1ccccc1[NH2+]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 543.59 | Num_heavy_atoms: | 39 |
| TPSA: | 154.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD56990
Formula: C22H25O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1C2=C(C=CN1C)c1ccccc1[NH2+]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.45 | Num_heavy_atoms: | 28 |
| TPSA: | 75.61 | NumAromaticRings: | 1 |
