Glycoside
GD087026
Name:
NoneFormula:
C17H31O10NSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C1(CC2CCC2)CCOCC1Aglycone:
COS(O)(O)O.NC(=O)C1(CC2CCC2)CCOCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.5 | Num_heavy_atoms: | 29 |
| TPSA: | 178.17 | 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 |
AD30910
Formula: C11H19O2N
Smiles:
NC(=O)C1(CC2CCC2)CCOCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.28 | Num_heavy_atoms: | 14 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
