Glycoside
GD082018
Name:
NoneFormula:
C17H23O6N4ClSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(c2cc(Cl)ncn2)CC1Aglycone:
NC(=O)C1CCN(c2cc(Cl)ncn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.84 | Num_heavy_atoms: | 27 |
| TPSA: | 148.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD36828
Formula: C11H13ON4Cl
Smiles:
NC(=O)C1CCN(c2cc(Cl)ncn2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.69 | Num_heavy_atoms: | 16 |
| TPSA: | 72.11 | NumAromaticRings: | 1 |
