Glycoside
GD098559
Name:
NoneFormula:
C20H26O8N2S2Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCc1ccc(S(=O)(=O)NCCO)s1)c1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 486.57 | Num_heavy_atoms: | 32 |
| TPSA: | 154.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD41912
Formula: C14H16O4N2S2
Smiles:
O=C(NCc1ccc(S(=O)(=O)NCCO)s1)c1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 340.43 | Num_heavy_atoms: | 22 |
| TPSA: | 95.5 | NumAromaticRings: | 2 |
