Glycoside
GD079455
Name:
NoneFormula:
C16H23O8N3SSmiles:
O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCc1cc(N2CCS(=O)(=O)CC2)ccn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.44 | Num_heavy_atoms: | 28 |
| TPSA: | 177.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD36326
Formula: C10H15O2N3S
Smiles:
NCc1cc(N2CCS(=O)(=O)CC2)ccn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.32 | Num_heavy_atoms: | 16 |
| TPSA: | 76.29 | NumAromaticRings: | 1 |
