Glycoside
GD094984
Name:
NoneFormula:
C20H28O8N2SSmiles:
CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]12Aglycone:
CS(=O)(=O)N1CCC2(c3ccccc3)CCNCC12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.52 | Num_heavy_atoms: | 31 |
| TPSA: | 155.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD40588
Formula: C14H20O2N2S
Smiles:
CS(=O)(=O)N1CCC2(c3ccccc3)CCNCC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.39 | Num_heavy_atoms: | 19 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
