Glycoside
GD018074
Name:
NoneFormula:
C27H30O4N6Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.58 | Num_heavy_atoms: | 37 |
| TPSA: | 120.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD12813
Formula: C22H21N6
Smiles:
C1=Nc2c(ncnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 369.45 | Num_heavy_atoms: | 28 |
| TPSA: | 58.72 | NumAromaticRings: | 3 |
