Glycoside
GD012381
Name:
NoneFormula:
C24H22O5N4Smiles:
O[C@@H]1[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc5c(c4)OCCO5)ncnc32)OC[C@H]1OAglycone:
C1=C(c2ccccc2)c2c(ncnc2Nc2ccc3c(c2)OCCO3)[N]1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.46 | Num_heavy_atoms: | 33 |
| TPSA: | 110.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD09346
Formula: C20H15O2N4
Smiles:
C1=C(c2ccccc2)c2c(ncnc2Nc2ccc3c(c2)OCCO3)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.37 | Num_heavy_atoms: | 26 |
| TPSA: | 70.37 | NumAromaticRings: | 3 |
