Glycoside
GD102649
Name:
NoneFormula:
C22H23O6N3SSmiles:
O=C(Cc1ccc2nccnc2c1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(Cc1ccc2nccnc2c1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.51 | Num_heavy_atoms: | 32 |
| TPSA: | 145.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD43456
Formula: C16H13ON3S
Smiles:
O=C(Cc1ccc2nccnc2c1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.37 | Num_heavy_atoms: | 21 |
| TPSA: | 54.88 | NumAromaticRings: | 3 |
