Glycoside
GD023350
Name:
NoneFormula:
C22H27O5N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCC4(O)CCCCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
OC1(CNc2ncnc3c2N=C[N]3)CCCCc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.49 | Num_heavy_atoms: | 32 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD15716
Formula: C17H18ON5
Smiles:
OC1(CNc2ncnc3c2N=C[N]3)CCCCc2ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.37 | Num_heavy_atoms: | 23 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
