Glycoside
GD025027
Name:
NoneFormula:
C26H29O5N7Smiles:
COc1ccc(-c2ccc(N3CCN(c4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)CC3)cc2)cn1Aglycone:
COc1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.56 | Num_heavy_atoms: | 38 |
| TPSA: | 142.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD16642
Formula: C21H20ON7
Smiles:
COc1ccc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1| HBA: | 8 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.44 | Num_heavy_atoms: | 29 |
| TPSA: | 80.84 | NumAromaticRings: | 3 |
