Glycoside
GD028168
Name:
NoneFormula:
C11H12O5N3ISmiles:
O=c1[nH]cnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 393.14 | Num_heavy_atoms: | 20 |
| TPSA: | 120.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD18439
Formula: C6H3ON3I
Smiles:
O=c1[nH]cnc2c1C(I)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.01 | Num_heavy_atoms: | 11 |
| TPSA: | 59.85 | NumAromaticRings: | 1 |
