Glycoside
GD084119
Name:
NoneFormula:
C21H27O6N3Smiles:
Cc1ccnc(-c2cc(CCCC(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ccn2)c1Aglycone:
Cc1ccnc(-c2cc(CCCC(N)=O)ccn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD37538
Formula: C15H17ON3
Smiles:
Cc1ccnc(-c2cc(CCCC(N)=O)ccn2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 255.32 | Num_heavy_atoms: | 19 |
| TPSA: | 68.87 | NumAromaticRings: | 2 |
