Glycoside
GD071345
Name:
NoneFormula:
C13H26O9N2SSmiles:
C[C@@H](C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)N1CCCC1Aglycone:
CC(C(N)=O)N1CCCC1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.42 | Num_heavy_atoms: | 25 |
| TPSA: | 172.18 | 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 |
AD25510
Formula: C7H14ON2
Smiles:
CC(C(N)=O)N1CCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 142.2 | Num_heavy_atoms: | 10 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
