Glycoside
GD063564
Name:
NoneFormula:
C11H21O11NSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@H]1COCCO1Aglycone:
COS(O)(O)O.NC(=O)C1COCCO1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.35 | Num_heavy_atoms: | 24 |
| 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 |
AD30605
Formula: C5H9O3N
Smiles:
NC(=O)C1COCCO1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 61.55 | NumAromaticRings: | 0 |
