Glycoside
GD082878
Name:
NoneFormula:
C19H23O8N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#Cc1cccc(N2CC(C(=O)NCCO)OC2=O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.41 | Num_heavy_atoms: | 30 |
| TPSA: | 161.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD37125
Formula: C13H13O4N3
Smiles:
N#Cc1cccc(N2CC(C(=O)NCCO)OC2=O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.26 | Num_heavy_atoms: | 20 |
| TPSA: | 102.66 | NumAromaticRings: | 1 |
