Glycoside
GD091031
Name:
NoneFormula:
C21H25O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@@](CO)(c5ccccc5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
OCC1(c2ccccc2)CCN(c2ncnc3c2N=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 136.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD39656
Formula: C16H16ON5
Smiles:
OCC1(c2ccccc2)CCN(c2ncnc3c2N=C[N]3)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.34 | Num_heavy_atoms: | 22 |
| TPSA: | 75.71 | NumAromaticRings: | 2 |
