Glycoside
GD058008
Name:
NoneFormula:
C15H29O6N2Smiles:
CCN1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1=OAglycone:
CCN1CCC([NH2+]CCO)CC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.41 | Num_heavy_atoms: | 23 |
| TPSA: | 116.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD29091
Formula: C9H19O2N2
Smiles:
CCN1CCC([NH2+]CCO)CC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 187.26 | Num_heavy_atoms: | 13 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
