Glycoside
GD108311
Name:
NoneFormula:
C27H33O6N5Smiles:
COc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](Cn3cc(COc4ccccc4)nn3)[C@@H](O)[C@H]2O)CC1Aglycone:
COc1ccccc1N1CCN(C(C)=O)CC1.Cn1cc(COc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 523.59 | Num_heavy_atoms: | 38 |
| TPSA: | 122.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD06148
Formula: C10H11ON3
Smiles:
Cn1cc(COc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.22 | Num_heavy_atoms: | 14 |
| TPSA: | 39.94 | NumAromaticRings: | 2 |
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
