Glycoside
GD098454
Name:
NoneFormula:
C20H28O8N2SSmiles:
COCCN1C[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1=OAglycone:
COCCN1CC(C(=O)Nc2ccc(S)cc2)CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.52 | Num_heavy_atoms: | 31 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD41870
Formula: C14H18O3N2S
Smiles:
COCCN1CC(C(=O)Nc2ccc(S)cc2)CC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 294.38 | Num_heavy_atoms: | 20 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
