Glycoside
GD086846
Name:
NoneFormula:
C14H26O11N2SSmiles:
O=C(CCC(=O)N1CCOCC1)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)CCC(=O)N1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.43 | Num_heavy_atoms: | 28 |
| TPSA: | 198.48 | 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 |
AD28955
Formula: C8H14O3N2
Smiles:
NC(=O)CCC(=O)N1CCOCC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
