Glycoside
GD086364
Name:
NoneFormula:
C17H27O7N6Smiles:
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@H](O)CO)CC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1N=C(N1CC[NH+](CC(O)CO)CC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.44 | Num_heavy_atoms: | 30 |
| TPSA: | 181.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD38287
Formula: C12H18O3N6
Smiles:
O=c1[nH]cnc2c1N=C(N1CC[NH+](CC(O)CO)CC1)[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.32 | Num_heavy_atoms: | 21 |
| TPSA: | 120.35 | NumAromaticRings: | 1 |
