Glycoside
GD152229
Name:
NeolinustatinFormula:
C17H29O11NSmiles:
CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCC(C)(O)C#NSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.42 | Num_heavy_atoms: | 29 |
| TPSA: | 202.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD25066
Formula: C5H9ON
Smiles:
CCC(C)(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
