Glycoside
GD075505
Name:
NoneFormula:
C16H21O7N3SSmiles:
CCOC(=O)c1sc2[nH]cn/c(=N\[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1CAglycone:
CCOC(=O)c1sc2[nH]cnc(=N)c2c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.43 | Num_heavy_atoms: | 27 |
| TPSA: | 157.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD34984
Formula: C10H11O2N3S
Smiles:
CCOC(=O)c1sc2[nH]cnc(=N)c2c1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.28 | Num_heavy_atoms: | 16 |
| TPSA: | 78.83 | NumAromaticRings: | 2 |
