Glycoside
GD088426
Name:
NoneFormula:
C18H26O8N2SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(S(=O)(=O)c2ccccc2)CC1Aglycone:
NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.48 | Num_heavy_atoms: | 29 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38681
Formula: C12H16O3N2S
Smiles:
NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.34 | Num_heavy_atoms: | 18 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
