Glycoside
GD067011
Name:
NoneFormula:
C17H31O6N2Smiles:
CC[C@@H](C)C[NH+]1CC2(CCN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1Aglycone:
CCC(C)C[NH+]1CC2(CCN(C=O)C2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.44 | Num_heavy_atoms: | 25 |
| TPSA: | 114.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD32030
Formula: C12H23ON2
Smiles:
CCC(C)C[NH+]1CC2(CCN(C=O)C2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 211.33 | Num_heavy_atoms: | 15 |
| TPSA: | 24.75 | NumAromaticRings: | 0 |
