Glycoside
GD035742
Name:
NoneFormula:
C22H28O5N2SSmiles:
COc1cccc(C2CCCN2C(=O)[C@H](O)[C@H](O)C(=O)N(C)CCc2cccs2)c1Aglycone:
CNCCc1cccs1.COc1cccc(C2CCCN2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.54 | Num_heavy_atoms: | 30 |
| TPSA: | 90.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD02193
Formula: C7H11NS
Smiles:
CNCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 141.24 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD22599
Formula: C11H15ON
Smiles:
COc1cccc(C2CCCN2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.25 | Num_heavy_atoms: | 13 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
