Glycoside
GD034924
Name:
NoneFormula:
C26H35O9N3S2Smiles:
CC(C)[C@H](C(=O)O)N(CCNC(=S)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)S(=O)(=O)c1ccc(-c2ccccc2)cc1Aglycone:
CC(C)C(C(=O)O)N(CCNC(N)=S)S(=O)(=O)c1ccc(-c2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 597.71 | Num_heavy_atoms: | 40 |
| TPSA: | 188.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD20018
Formula: C20H25O4N3S2
Smiles:
CC(C)C(C(=O)O)N(CCNC(N)=S)S(=O)(=O)c1ccc(-c2ccccc2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 435.57 | Num_heavy_atoms: | 29 |
| TPSA: | 112.73 | NumAromaticRings: | 2 |
