Glycoside
GD072072
Name:
NoneFormula:
C12H21O10N3SSmiles:
CN1N=C(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCC1=OAglycone:
CN1N=C(C(N)=O)CCC1=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.38 | Num_heavy_atoms: | 26 |
| TPSA: | 201.61 | 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 |
AD26272
Formula: C6H9O2N3
Smiles:
CN1N=C(C(N)=O)CCC1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 75.76 | NumAromaticRings: | 0 |
