Glycoside
GD072035
Name:
NoneFormula:
C12H20O10N2SSmiles:
O=C(CCc1cnoc1)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)CCc1cnoc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.36 | Num_heavy_atoms: | 25 |
| TPSA: | 194.97 | NumAromaticRings: | 1 |
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 |
AD26242
Formula: C6H8O2N2
Smiles:
NC(=O)CCc1cnoc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 69.12 | NumAromaticRings: | 1 |
