Glycoside
GD087911
Name:
NoneFormula:
C17H23O8N3SSmiles:
O=C(N[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]2CCCO[C@@H]12)c1cscn1Aglycone:
O=C(NC1CNC2CCCOC21)c1cscn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.45 | Num_heavy_atoms: | 29 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD38541
Formula: C11H15O2N3S
Smiles:
O=C(NC1CNC2CCCOC21)c1cscn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.33 | Num_heavy_atoms: | 17 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
