Glycoside
GD011490
Name:
NoneFormula:
C31H30O11N2SSmiles:
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
COC(C)=O.COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.35 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.65 | Num_heavy_atoms: | 45 |
| TPSA: | 165.52 | NumAromaticRings: | 3 |
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 |
AD08779
Formula: C17H12O2N2S
Smiles:
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.36 | Num_heavy_atoms: | 22 |
| TPSA: | 61.95 | NumAromaticRings: | 3 |
