Glycoside
GD103187
Name:
NoneFormula:
C19H30O9N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=S)NC(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(C)(C)NC(N)=S.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.52 | Num_heavy_atoms: | 31 |
| TPSA: | 138.49 | 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 |
AD43656
Formula: C5H12N2S
Smiles:
CC(C)(C)NC(N)=S| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.23 | Num_heavy_atoms: | 8 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
