Glycoside
GD056112
Name:
NoneFormula:
C14H22O7N2Smiles:
CN1CC[C@@]2(CCCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1=OAglycone:
CN1CCC2(CCCN2C=O)C1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.34 | Num_heavy_atoms: | 23 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD28222
Formula: C9H14O2N2
Smiles:
CN1CCC2(CCCN2C=O)C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
