Glycoside
GD085226
Name:
NoneFormula:
C19H21O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(-c3cccc(C#N)c3)on2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cccc(-c2cc(C(=O)NCCO)no2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.39 | Num_heavy_atoms: | 29 |
| TPSA: | 158.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD38127
Formula: C13H11O3N3
Smiles:
N#Cc1cccc(-c2cc(C(=O)NCCO)no2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.25 | Num_heavy_atoms: | 19 |
| TPSA: | 99.15 | NumAromaticRings: | 2 |
