Glycoside
GD030307
Name:
NoneFormula:
C15H18O5N3SISmiles:
OC[C@@H]1O[C@H](SCc2nnn(-c3ccccc3)c2I)[C@H](O)[C@H](O)[C@H]1OAglycone:
SCc1nnn(-c2ccccc2)c1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 479.3 | Num_heavy_atoms: | 25 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD19613
Formula: C9H8N3SI
Smiles:
SCc1nnn(-c2ccccc2)c1I| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 317.16 | Num_heavy_atoms: | 14 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
