Glycoside
GD098841
Name:
NoneFormula:
C18H28O10N2SSmiles:
COCCNC(=S)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COCCNC(N)=SSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 464.49 | Num_heavy_atoms: | 31 |
| 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 |
AD42050
Formula: C4H10ON2S
Smiles:
COCCNC(N)=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.2 | Num_heavy_atoms: | 8 |
| TPSA: | 47.28 | NumAromaticRings: | 0 |
