Glycoside
GD003114
Name:
NoneFormula:
C25H24O7N2Smiles:
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.47 | Num_heavy_atoms: | 34 |
| TPSA: | 145.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD02556
Formula: C19H14O2N2
Smiles:
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 23 |
| TPSA: | 65.88 | NumAromaticRings: | 3 |
