Glycoside
GD095323
Name:
NoneFormula:
C22H28O7N4Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cncnc1[C@H]1CN(Cc2ccccc2)CCO1Aglycone:
NC(=O)c1cncnc1C1CN(Cc2ccccc2)CCO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.49 | Num_heavy_atoms: | 33 |
| TPSA: | 157.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD40684
Formula: C16H18O2N4
Smiles:
NC(=O)c1cncnc1C1CN(Cc2ccccc2)CCO1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.35 | Num_heavy_atoms: | 22 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
