Glycoside
GD007441
Name:
GluconasturtiinFormula:
C15H21O9NS2Smiles:
O=S(=O)(O)ON=C(CCc1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=S(=O)(O)ON=C(S)CCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.47 | Num_heavy_atoms: | 27 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD06061
Formula: C9H11O4NS2
Smiles:
O=S(=O)(O)ON=C(S)CCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.32 | Num_heavy_atoms: | 16 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
