Glycoside
GD091739
Name:
NoneFormula:
C21H31O7N3Smiles:
CC(C)(COCc1ccccc1)c1cn(CCO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(C)(COCc1ccccc1)c1cn(CCO)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 437.49 | Num_heavy_atoms: | 31 |
| TPSA: | 139.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD40016
Formula: C15H21O2N3
Smiles:
CC(C)(COCc1ccccc1)c1cn(CCO)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.35 | Num_heavy_atoms: | 20 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
