Glycoside
GD087654
Name:
NoneFormula:
C13H18O10N3ClSSmiles:
COC(=O)c1nc(Cl)cnc1N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COC(=O)c1nc(Cl)cnc1N.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.81 | Num_heavy_atoms: | 27 |
| TPSA: | 203.95 | 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 |
AD27692
Formula: C7H6O2N3Cl
Smiles:
COC(=O)c1nc(Cl)cnc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.59 | Num_heavy_atoms: | 12 |
| TPSA: | 78.1 | NumAromaticRings: | 1 |
