Glycoside
GD097459
Name:
NoneFormula:
C22H32O7N4SSmiles:
CCOC(=O)c1sc2[nH]c(CN3CCCCC3)n/c(=N\[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1CAglycone:
CCOC(=O)c1sc2[nH]c(CN3CCCCC3)nc(=N)c2c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.59 | Num_heavy_atoms: | 34 |
| TPSA: | 160.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD41453
Formula: C16H22O2N4S
Smiles:
CCOC(=O)c1sc2[nH]c(CN3CCCCC3)nc(=N)c2c1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.44 | Num_heavy_atoms: | 23 |
| TPSA: | 82.07 | NumAromaticRings: | 2 |
