Glycoside
GD094788
Name:
NoneFormula:
C16H26O10N4SSmiles:
CCOC(=O)N1CCc2nnc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2C1Aglycone:
CCOC(=O)N1CCc2nnc(N)cc2C1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.47 | Num_heavy_atoms: | 31 |
| TPSA: | 207.19 | 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 |
AD35000
Formula: C10H14O2N4
Smiles:
CCOC(=O)N1CCc2nnc(N)cc2C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.25 | Num_heavy_atoms: | 16 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
