Glycoside
GD098016
Name:
NoneFormula:
C20H30O10N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=S)NC[C@@H]2CCCO2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)NCC1CCCO1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.53 | Num_heavy_atoms: | 33 |
| TPSA: | 147.72 | 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 |
AD41703
Formula: C6H12ON2S
Smiles:
NC(=S)NCC1CCCO1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.24 | Num_heavy_atoms: | 10 |
| TPSA: | 47.28 | NumAromaticRings: | 0 |
