Glycoside
GD072903
Name:
NoneFormula:
C14H18O7N4SSmiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2C(=O)c1cnsn1Aglycone:
O=CN1CC2CC(C1)N2C(=O)c1cnsn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.39 | Num_heavy_atoms: | 26 |
| TPSA: | 156.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD33910
Formula: C9H10O2N4S
Smiles:
O=CN1CC2CC(C1)N2C(=O)c1cnsn1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.27 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
