Glycoside
GD014419
Name:
NoneFormula:
C30H36O4N8Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCC4CNc5ccccc54)nc(NCCC4CNc5ccccc54)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCC3CNc4ccccc43)nc2NCCC2CNc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 572.67 | Num_heavy_atoms: | 42 |
| TPSA: | 161.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD10605
Formula: C25H27N8
Smiles:
C1=Nc2c(nc(NCCC3CNc4ccccc43)nc2NCCC2CNc3ccccc32)[N]1| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.55 | Num_heavy_atoms: | 33 |
| TPSA: | 100.36 | NumAromaticRings: | 3 |
