Glycoside
GD094946
Name:
NoneFormula:
C19H29O9N3SSmiles:
CCOC(=O)C1CCN(S(=O)(=O)c2cccnc2N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
CCOC(=O)C1CCN(S(=O)(=O)c2cccnc2N)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.52 | Num_heavy_atoms: | 32 |
| TPSA: | 178.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD40571
Formula: C13H19O4N3S
Smiles:
CCOC(=O)C1CCN(S(=O)(=O)c2cccnc2N)CC1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.38 | Num_heavy_atoms: | 21 |
| TPSA: | 102.59 | NumAromaticRings: | 1 |
