Glycoside
GD087038
Name:
NoneFormula:
C16H29O11NSSmiles:
CC1(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCC2(CC1)OCCO2Aglycone:
CC1(C(N)=O)CCC2(CC1)OCCO2.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 443.47 | Num_heavy_atoms: | 29 |
| TPSA: | 187.4 | 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 |
AD30921
Formula: C10H17O3N
Smiles:
CC1(C(N)=O)CCC2(CC1)OCCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.25 | Num_heavy_atoms: | 14 |
| TPSA: | 61.55 | NumAromaticRings: | 0 |
