Glycoside
GD102853
Name:
NoneFormula:
C22H24O6N4SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1nccn1Cc1ccccn1Aglycone:
O=C(Nc1ccc(S)cc1)c1nccn1Cc1ccccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.52 | Num_heavy_atoms: | 33 |
| TPSA: | 149.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD43536
Formula: C16H14ON4S
Smiles:
O=C(Nc1ccc(S)cc1)c1nccn1Cc1ccccn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.38 | Num_heavy_atoms: | 22 |
| TPSA: | 59.81 | NumAromaticRings: | 3 |
