Glycoside
GD103755
Name:
NoneFormula:
C20H29O11NSSmiles:
C=CCC1(S(=O)(=O)N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CC1Aglycone:
C=CCC1(S(N)(=O)=O)CC1.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 491.52 | Num_heavy_atoms: | 33 |
| TPSA: | 160.6 | 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 |
AD26663
Formula: C6H11O2NS
Smiles:
C=CCC1(S(N)(=O)=O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
