Glycoside
GD081134
Name:
NoneFormula:
C14H19O7N3S2Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cccc3nsnc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1cccc2nsnc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.45 | Num_heavy_atoms: | 26 |
| TPSA: | 151.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD36586
Formula: C8H9O3N3S2
Smiles:
O=S(=O)(NCCO)c1cccc2nsnc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.31 | Num_heavy_atoms: | 16 |
| TPSA: | 92.18 | NumAromaticRings: | 2 |
