Glycoside
GD001508
Name:
NoneFormula:
C22H31O7N3Smiles:
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCC(N)=O)cc1Aglycone:
CC(C)c1[nH]nc(O)c1Cc1ccc(CCC(N)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 449.5 | Num_heavy_atoms: | 32 |
| TPSA: | 171.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD01507
Formula: C16H21O2N3
Smiles:
CC(C)c1[nH]nc(O)c1Cc1ccc(CCC(N)=O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 287.36 | Num_heavy_atoms: | 21 |
| TPSA: | 92.0 | NumAromaticRings: | 2 |
