Glycoside
GD086468
Name:
NoneFormula:
C18H28O9N2SSmiles:
O=C(c1ccccc1)N1CCC[C@@H](N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1Aglycone:
COS(O)(O)O.NC1CCCN(C(=O)c2ccccc2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.49 | Num_heavy_atoms: | 30 |
| TPSA: | 172.18 | 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 |
AD38300
Formula: C12H16ON2
Smiles:
NC1CCCN(C(=O)c2ccccc2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
