Glycoside
GD068624
Name:
NoneFormula:
C16H23O6NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[C@H]2c2cccs2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CC1c1cccs1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.43 | Num_heavy_atoms: | 24 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD32520
Formula: C10H13O2NS
Smiles:
O=C(NCCO)C1CC1c1cccs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 211.29 | Num_heavy_atoms: | 14 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
