Glycoside
GD004920
Name:
NoneFormula:
C26H32O9N2SSmiles:
CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N#Cc1cc2c([nH]c1=S)CCCCCC2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.61 | Num_heavy_atoms: | 38 |
| TPSA: | 143.15 | NumAromaticRings: | 1 |
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 |
AD04238
Formula: C12H14N2S
Smiles:
N#Cc1cc2c([nH]c1=S)CCCCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.32 | Num_heavy_atoms: | 15 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
