Glycoside
GD071894
Name:
NoneFormula:
C15H25O9NSSmiles:
C[C@]1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C[C@@H]2C=C[C@H]1C2Aglycone:
CC1(C(N)=O)CC2C=CC1C2.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.43 | Num_heavy_atoms: | 26 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD25798
Formula: C9H13ON
Smiles:
CC1(C(N)=O)CC2C=CC1C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.21 | Num_heavy_atoms: | 11 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
