Glycoside
GD086768
Name:
NoneFormula:
C17H27O9N3SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@H]1CCCN(c2ccccn2)C1Aglycone:
COS(O)(O)O.NC(=O)C1CCCN(c2ccccn2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.48 | Num_heavy_atoms: | 30 |
| TPSA: | 185.07 | 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 |
AD38356
Formula: C11H15ON3
Smiles:
NC(=O)C1CCCN(c2ccccn2)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 59.22 | NumAromaticRings: | 1 |
