Glycoside
GD018482
Name:
NoneFormula:
C21H26O11N2SSmiles:
COC(=O)c1cc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(SC)c1C(=O)OCAglycone:
COC(=O)c1cc(N)nc(SC)c1C(=O)OCSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.51 | Num_heavy_atoms: | 35 |
| TPSA: | 165.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD13036
Formula: C10H12O4N2S
Smiles:
COC(=O)c1cc(N)nc(SC)c1C(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.28 | Num_heavy_atoms: | 17 |
| TPSA: | 91.51 | NumAromaticRings: | 1 |
