Glycoside
GD001226
Name:
NoneFormula:
C21H33O12N3S2Smiles:
NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
NC(=S)NCCc1ccc(S(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -5.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 583.64 | Num_heavy_atoms: | 38 |
| TPSA: | 253.52 | 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 |
