Glycoside
GD097439
Name:
NoneFormula:
C17H22O6N3ISmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3c(c2)c(I)nn3C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1nc(I)c2cc(C(=O)NCCO)ccc21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 491.28 | Num_heavy_atoms: | 27 |
| TPSA: | 126.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD41441
Formula: C11H12O2N3I
Smiles:
Cn1nc(I)c2cc(C(=O)NCCO)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 345.14 | Num_heavy_atoms: | 17 |
| TPSA: | 67.15 | NumAromaticRings: | 2 |
