Glycoside
GD104827
Name:
NoneFormula:
C20H32O10S2Smiles:
CCSC(COC(C)=O)(SCC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=OAglycone:
CCSC(COC(C)=O)SCCSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 496.6 | Num_heavy_atoms: | 32 |
| TPSA: | 131.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD44020
Formula: C8H16O2S2
Smiles:
CCSC(COC(C)=O)SCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 208.35 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
