Glycoside
GD000651
Name:
NoneFormula:
C22H20O3N4Smiles:
O[C@@H]1[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)OC[C@H]1OAglycone:
C1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.43 | Num_heavy_atoms: | 29 |
| TPSA: | 92.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD00704
Formula: C18H13N4
Smiles:
C1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.33 | Num_heavy_atoms: | 22 |
| TPSA: | 51.91 | NumAromaticRings: | 3 |
