Glycoside
GD066742
Name:
NoneFormula:
C16H25O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(C3CC3)nn2C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1nc(C2CC2)cc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.39 | Num_heavy_atoms: | 25 |
| TPSA: | 126.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD31918
Formula: C10H15O2N3
Smiles:
Cn1nc(C2CC2)cc1C(=O)NCCO| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 209.25 | Num_heavy_atoms: | 15 |
| TPSA: | 67.15 | NumAromaticRings: | 1 |
