Glycoside
GD000170
Name:
NoneFormula:
C15H23O7N3S2Smiles:
NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
NC(=S)NCCc1ccc(S(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.5 | Num_heavy_atoms: | 27 |
| TPSA: | 174.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00205
Formula: C9H13O2N3S2
Smiles:
NC(=S)NCCc1ccc(S(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.36 | Num_heavy_atoms: | 16 |
| TPSA: | 98.21 | NumAromaticRings: | 1 |
