Glycoside
GD015730
Name:
NoneFormula:
C15H18O7N3SISmiles:
O=S(=O)(Cc1nnn(-c2ccccc2)c1I)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=[S](=O)Cc1nnn(-c2ccccc2)c1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 511.29 | Num_heavy_atoms: | 27 |
| TPSA: | 155.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD11395
Formula: C9H7O2N3SI
Smiles:
O=[S](=O)Cc1nnn(-c2ccccc2)c1I| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.14 | Num_heavy_atoms: | 16 |
| TPSA: | 64.85 | NumAromaticRings: | 2 |
