Glycoside
GD032700
Name:
NoneFormula:
C32H31O10N3Smiles:
CC(=O)OC1C(COC(N)=O)OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(N)=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: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 617.61 | Num_heavy_atoms: | 45 |
| TPSA: | 186.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD07653
Formula: C2H5O2N
Smiles:
COC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 52.32 | 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 |
