Glycoside
GD069906
Name:
NoneFormula:
C16H21O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)Nc2cccc(C#N)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cccc(NC(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.36 | Num_heavy_atoms: | 25 |
| TPSA: | 144.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD33114
Formula: C10H11O2N3
Smiles:
N#Cc1cccc(NC(=O)NCCO)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.22 | Num_heavy_atoms: | 15 |
| TPSA: | 85.15 | NumAromaticRings: | 1 |
