Glycoside
GD023911
Name:
NoneFormula:
C22H21O5N5Smiles:
OC[C@@H]1O[C@H](n2c(-c3ccco3)nc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
c1coc(C2=Nc3c(ncnc3N3CCc4ccccc43)[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 435.44 | Num_heavy_atoms: | 32 |
| TPSA: | 129.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD16033
Formula: C17H12ON5
Smiles:
c1coc(C2=Nc3c(ncnc3N3CCc4ccccc43)[N]2)c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.32 | Num_heavy_atoms: | 23 |
| TPSA: | 68.62 | NumAromaticRings: | 3 |
