Glycoside
GD102468
Name:
NoneFormula:
C21H24O6N4SSmiles:
O=C(CCn1nnc2ccccc21)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(CCn1nnc2ccccc21)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.51 | Num_heavy_atoms: | 32 |
| TPSA: | 149.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD43373
Formula: C15H14ON4S
Smiles:
O=C(CCn1nnc2ccccc21)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.37 | Num_heavy_atoms: | 21 |
| TPSA: | 59.81 | NumAromaticRings: | 3 |
