Glycoside
GD089100
Name:
NoneFormula:
C18H28O9N2SSmiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](O)[C@H]1SC[C@H](C(=O)N(C)C)N1C(C)=OAglycone:
CC(=O)N1CSCC1C(=O)N(C)CSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.49 | Num_heavy_atoms: | 30 |
| TPSA: | 139.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD21528
Formula: C8H14O2N2S
Smiles:
CC(=O)N1CSCC1C(=O)N(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.28 | Num_heavy_atoms: | 13 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
