Glycoside
GD018203
Name:
NoneFormula:
C18H19O7N3Smiles:
Cc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1Aglycone:
Cc1ccc(-c2[nH]c(=O)[nH]c(=O)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 389.36 | Num_heavy_atoms: | 28 |
| TPSA: | 168.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD12884
Formula: C12H9O2N3
Smiles:
Cc1ccc(-c2[nH]c(=O)[nH]c(=O)c2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 227.22 | Num_heavy_atoms: | 17 |
| TPSA: | 89.51 | NumAromaticRings: | 2 |
