Glycoside
GD095191
Name:
NoneFormula:
C19H32O9N2SSmiles:
COC[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)CN1S(=O)(=O)C1CC1Aglycone:
COCC1CC2(CCNCC2)CN1S(=O)(=O)C1CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 464.54 | Num_heavy_atoms: | 31 |
| TPSA: | 164.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD40639
Formula: C13H24O3N2S
Smiles:
COCC1CC2(CCNCC2)CN1S(=O)(=O)C1CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.41 | Num_heavy_atoms: | 19 |
| TPSA: | 58.64 | NumAromaticRings: | 0 |
