Glycoside
GD011113
Name:
NoneFormula:
C28H36O9N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2c1[nH]c1cc(C)ccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1cc(C)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.6 | Num_heavy_atoms: | 39 |
| TPSA: | 162.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD08520
Formula: C22H26O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1cc(C)ccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.46 | Num_heavy_atoms: | 28 |
| TPSA: | 83.58 | NumAromaticRings: | 2 |
