Glycoside
GD084751
Name:
NoneFormula:
C20H27O7N3Smiles:
COc1ccc(Cn2cnc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1Aglycone:
COc1ccc(Cn2cnc(C(=O)NCCO)c2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.45 | Num_heavy_atoms: | 30 |
| TPSA: | 135.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD37896
Formula: C14H17O3N3
Smiles:
COc1ccc(Cn2cnc(C(=O)NCCO)c2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.31 | Num_heavy_atoms: | 20 |
| TPSA: | 76.38 | NumAromaticRings: | 2 |
