Glycoside
GD018036
Name:
NoneFormula:
C28H36O10N2Smiles:
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]c1ccc(OC)cc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccc(OC)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.6 | Num_heavy_atoms: | 40 |
| TPSA: | 171.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD12794
Formula: C22H26O5N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccc(OC)cc21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 92.81 | NumAromaticRings: | 2 |
