Glycoside
GD088815
Name:
NoneFormula:
C17H28O9N3SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=S)NCC[NH3+])[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)NCC[NH3+]Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.49 | Num_heavy_atoms: | 30 |
| TPSA: | 166.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD38860
Formula: C3H10N3S
Smiles:
NC(=S)NCC[NH3+]| HBA: | 3 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.2 | Num_heavy_atoms: | 7 |
| TPSA: | 65.69 | NumAromaticRings: | 0 |
