Glycoside
GD104332
Name:
NoneFormula:
C20H33O9NS2Smiles:
CCSC(SCC)[C@@H](NC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=OAglycone:
CCSC(CNC(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: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 495.62 | Num_heavy_atoms: | 32 |
| TPSA: | 134.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD29398
Formula: C8H17ONS2
Smiles:
CCSC(CNC(C)=O)SCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 207.36 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
