Glycoside
GD063595
Name:
NoneFormula:
C12H21O10NSSmiles:
O=C1CC[C@H](C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1Aglycone:
COS(O)(O)O.NC(=O)C1CCC(=O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.36 | Num_heavy_atoms: | 24 |
| TPSA: | 186.01 | 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 |
AD30613
Formula: C6H9O2N
Smiles:
NC(=O)C1CCC(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.14 | Num_heavy_atoms: | 9 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
