Glycoside
GD085192
Name:
NoneFormula:
C20H25O6N3Smiles:
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.44 | Num_heavy_atoms: | 29 |
| TPSA: | 147.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD38107
Formula: C14H15O2N3
Smiles:
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.29 | Num_heavy_atoms: | 19 |
| TPSA: | 88.91 | NumAromaticRings: | 2 |
