Glycoside
GD070899
Name:
NoneFormula:
C16H24O6N6Smiles:
O=c1[nH]cnc2c1nc(N1CCN(CCO)CC1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
O=c1[nH]cnc2c1N=C(N1CCN(CCO)CC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 160.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD33527
Formula: C11H15O2N6
Smiles:
O=c1[nH]cnc2c1N=C(N1CCN(CCO)CC1)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.28 | Num_heavy_atoms: | 19 |
| TPSA: | 98.92 | NumAromaticRings: | 1 |
