Glycoside
GD083467
Name:
NoneFormula:
C18H21O7N3SSmiles:
COc1ccc(-n2nc3c(c2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CSC3)cc1Aglycone:
COc1ccc(-n2nc3c(c2N)CSC3)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.45 | Num_heavy_atoms: | 29 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD37258
Formula: C12H13ON3S
Smiles:
COc1ccc(-n2nc3c(c2N)CSC3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.32 | Num_heavy_atoms: | 17 |
| TPSA: | 53.07 | NumAromaticRings: | 2 |
