Glycoside
GD091972
Name:
NoneFormula:
C22H27O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCC[C@@](CO)(c5ccccc5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
OCC1(c2ccccc2)CCCN(c2ncnc3c2N=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.49 | Num_heavy_atoms: | 32 |
| TPSA: | 136.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD40139
Formula: C17H18ON5
Smiles:
OCC1(c2ccccc2)CCCN(c2ncnc3c2N=C[N]3)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.36 | Num_heavy_atoms: | 23 |
| TPSA: | 75.71 | NumAromaticRings: | 2 |
