Glycoside
GD087005
Name:
NoneFormula:
C15H28O10N2SSmiles:
CC(=O)N1CCCC[C@H]1CC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(=O)N1CCCCC1CC(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.46 | Num_heavy_atoms: | 28 |
| TPSA: | 189.25 | 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 |
AD27663
Formula: C9H16O2N2
Smiles:
CC(=O)N1CCCCC1CC(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.24 | Num_heavy_atoms: | 13 |
| TPSA: | 63.4 | NumAromaticRings: | 0 |
