Glycoside
GD126492
Name:
GlucorapheninFormula:
C12H21O9NS3Smiles:
CS(=O)C=CCCC(=NS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)C=CCCC(S)=NS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.5 | Num_heavy_atoms: | 25 |
| TPSA: | 173.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD51185
Formula: C6H11O4NS3
Smiles:
CS(=O)C=CCCC(S)=NS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 257.36 | Num_heavy_atoms: | 14 |
| TPSA: | 83.8 | NumAromaticRings: | 0 |
