Glycoside
GD098852
Name:
NoneFormula:
C21H21O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cnc2ccccn2c1=OAglycone:
O=C(Nc1ccc(S)cc1)c1cnc2ccccn2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.48 | Num_heavy_atoms: | 32 |
| TPSA: | 153.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD42056
Formula: C15H11O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cnc2ccccn2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.34 | Num_heavy_atoms: | 21 |
| TPSA: | 63.47 | NumAromaticRings: | 3 |
