Glycoside
GD078139
Name:
NoneFormula:
C19H21O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)CCCO5)ncnc32)[C@@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc3c(c2)CCCO3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD35829
Formula: C14H12ON5
Smiles:
C1=Nc2c(ncnc2Nc2ccc3c(c2)CCCO3)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.28 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
