Glycoside
GD107628
Name:
NoneFormula:
C27H35O9N2Smiles:
C=C[C@H]1[C@@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1C[C@H]1[NH2+]CCc2c1[nH]c1ccccc21Aglycone:
C=CC1C(OC)OC=C(C(=O)OC)C1CC1[NH2+]CCc2c1[nH]c1ccccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.58 | Num_heavy_atoms: | 38 |
| TPSA: | 167.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD44331
Formula: C22H27O4N2
Smiles:
C=CC1C(OC)OC=C(C(=O)OC)C1CC1[NH2+]CCc2c1[nH]c1ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.47 | Num_heavy_atoms: | 28 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
