Glycoside
GD001405
Name:
NoneFormula:
C27H31O4N5Smiles:
OC[C@@H]1OC(n2cnc3c(NCCCCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCCCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 489.58 | Num_heavy_atoms: | 36 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD01414
Formula: C22H22N5
Smiles:
C1=Nc2c(ncnc2NCCCCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 356.45 | Num_heavy_atoms: | 27 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
