Glycoside
GD055322
Name:
NoneFormula:
C14H21O6NSSmiles:
Cc1ccc(CCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)s1Aglycone:
Cc1ccc(CCCN)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 331.39 | Num_heavy_atoms: | 22 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD28021
Formula: C8H13NS
Smiles:
Cc1ccc(CCCN)s1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.27 | Num_heavy_atoms: | 10 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
