Glycoside
GD000393
Name:
NoneFormula:
C22H26O9N2SSmiles:
CC(=O)OCC1OC(n2c(C)cc(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1cc(C)c(C#N)c(=S)[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.52 | Num_heavy_atoms: | 34 |
| 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 |
AD00444
Formula: C8H8N2S
Smiles:
Cc1cc(C)c(C#N)c(=S)[nH]1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.23 | Num_heavy_atoms: | 11 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
