Glycoside
GD091000
Name:
NoneFormula:
C13H19O7N2ISmiles:
Cc1nc(I)oc1C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
Cc1nc(I)oc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.21 | Num_heavy_atoms: | 23 |
| TPSA: | 134.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD39638
Formula: C7H9O3N2I
Smiles:
Cc1nc(I)oc1C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.06 | Num_heavy_atoms: | 13 |
| TPSA: | 75.36 | NumAromaticRings: | 1 |
