Glycoside
GD102000
Name:
NoneFormula:
C22H23O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1nc(Cc2ccccc2)no1Aglycone:
O=C(Nc1ccc(S)cc1)c1nc(Cc2ccccc2)no1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.51 | Num_heavy_atoms: | 33 |
| TPSA: | 158.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD43187
Formula: C16H13O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1nc(Cc2ccccc2)no1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.37 | Num_heavy_atoms: | 22 |
| TPSA: | 68.02 | NumAromaticRings: | 3 |
