Glycoside
GD003259
Name:
NoneFormula:
C25H26O4N5ISmiles:
OC[C@@H]1O[C@H](CNc2nc(I)nc3[nH]cnc23)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CNc1nc(I)nc2[nH]cnc12.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 587.42 | Num_heavy_atoms: | 35 |
| TPSA: | 114.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD02969
Formula: C6H6N5I
Smiles:
CNc1nc(I)nc2[nH]cnc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 275.05 | Num_heavy_atoms: | 12 |
| TPSA: | 66.49 | NumAromaticRings: | 2 |
