Glycoside
GD019700
Name:
NoneFormula:
C22H27O5N9Smiles:
O=C(NN=Nc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)Nc1ccccc1Aglycone:
O=C(NN=Nc1nc2c(c(NC3CCCC3)n1)N=C[N]2)Nc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.52 | Num_heavy_atoms: | 36 |
| TPSA: | 191.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD13718
Formula: C17H18ON9
Smiles:
O=C(NN=Nc1nc2c(c(NC3CCCC3)n1)N=C[N]2)Nc1ccccc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.39 | Num_heavy_atoms: | 27 |
| TPSA: | 130.12 | NumAromaticRings: | 2 |
