Glycoside
GD081148
Name:
NoneFormula:
C15H18O8N3ClSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(Cl)c3nonc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(Cl)c2nonc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.83 | Num_heavy_atoms: | 27 |
| TPSA: | 164.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD36596
Formula: C9H8O4N3ClS
Smiles:
O=S(=O)(NCCO)c1ccc(Cl)c2nonc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 277.69 | Num_heavy_atoms: | 17 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
