Glycoside
GD081087
Name:
NoneFormula:
C14H29O10N2SSmiles:
CCOC(=O)N1CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1Aglycone:
CCOC(=O)N1CCC([NH3+])CC1.COS(O)(O)OSugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.46 | Num_heavy_atoms: | 27 |
| TPSA: | 185.99 | 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 |
AD29083
Formula: C8H17O2N2
Smiles:
CCOC(=O)N1CCC([NH3+])CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 173.24 | Num_heavy_atoms: | 12 |
| TPSA: | 57.18 | NumAromaticRings: | 0 |
