Glycoside
GD085347
Name:
NoneFormula:
C20H23O5N5Smiles:
O=c1[nH]cnc2c1nc(N1CC[C@H](c3ccccc3)C1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=c1[nH]cnc2c1N=C(N1CCC(c3ccccc3)C1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 136.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD37130
Formula: C15H14ON5
Smiles:
O=c1[nH]cnc2c1N=C(N1CCC(c3ccccc3)C1)[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 280.31 | Num_heavy_atoms: | 21 |
| TPSA: | 75.45 | NumAromaticRings: | 2 |
