Glycoside
GD080849
Name:
NoneFormula:
C18H24O7N4Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccn2c(C3CCOCC3)nnc2c1Aglycone:
NC(=O)c1ccn2c(C3CCOCC3)nnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.41 | Num_heavy_atoms: | 29 |
| TPSA: | 158.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD36500
Formula: C12H14O2N4
Smiles:
NC(=O)c1ccn2c(C3CCOCC3)nnc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.27 | Num_heavy_atoms: | 18 |
| TPSA: | 82.51 | NumAromaticRings: | 2 |
