Glycoside
GD103066
Name:
NoneFormula:
C23H29O7NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C[S@@](=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CS(=O)C(c1ccccc1)c1ccccc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 463.55 | Num_heavy_atoms: | 32 |
| TPSA: | 125.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD43610
Formula: C17H19O3NS
Smiles:
O=C(CS(=O)C(c1ccccc1)c1ccccc1)NCCO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 317.41 | Num_heavy_atoms: | 22 |
| TPSA: | 66.4 | NumAromaticRings: | 2 |
