Glycoside
GD100984
Name:
NoneFormula:
C16H20O5N5ISmiles:
O=C(NCC1CC1)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(NCC1CC1)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.27 | Num_heavy_atoms: | 27 |
| TPSA: | 141.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD42682
Formula: C11H11ON5I
Smiles:
O=C(NCC1CC1)Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.15 | Num_heavy_atoms: | 18 |
| TPSA: | 81.01 | NumAromaticRings: | 1 |
