Glycoside
GD107128
Name:
NoneFormula:
C27H28O7N6Smiles:
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)OCc1ccccc1Aglycone:
O=C(NC(Cc1ccccc1)C(=O)Nc1ncnc2c1N=C[N]2)OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.56 | Num_heavy_atoms: | 40 |
| TPSA: | 180.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD44279
Formula: C22H19O3N6
Smiles:
O=C(NC(Cc1ccccc1)C(=O)Nc1ncnc2c1N=C[N]2)OCc1ccccc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.43 | Num_heavy_atoms: | 31 |
| TPSA: | 119.67 | NumAromaticRings: | 3 |
