Glycoside
GD080684
Name:
NoneFormula:
C14H22O10N2SSmiles:
CCOc1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1Aglycone:
CCOc1cncc(C(N)=O)c1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.4 | Num_heavy_atoms: | 27 |
| TPSA: | 191.06 | 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 |
AD27547
Formula: C8H10O2N2
Smiles:
CCOc1cncc(C(N)=O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
