Glycoside
GD022776
Name:
NoneFormula:
C33H32O10N2Smiles:
CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 616.62 | Num_heavy_atoms: | 45 |
| TPSA: | 160.22 | 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 |
AD12855
Formula: C19H14ON2
Smiles:
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.33 | Num_heavy_atoms: | 22 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
