Glycoside
GD102888
Name:
NoneFormula:
C20H30O9N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=S)NC2CCCC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)NC1CCCC1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.53 | Num_heavy_atoms: | 32 |
| 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 |
AD43551
Formula: C6H12N2S
Smiles:
NC(=S)NC1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.24 | Num_heavy_atoms: | 9 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
