Glycoside
GD138467
Name:
Microtropin DFormula:
C17H27O10NSmiles:
CCC(O)(C(=O)OCC1OC(OCC=C(C#N)CO)C(O)C(O)C1O)C(C)OAglycone:
CCC(O)(C(=O)OC)C(C)O.N#CC(=CCO)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 405.4 | Num_heavy_atoms: | 28 |
| TPSA: | 189.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD14685
Formula: C5H7O2N
Smiles:
N#CC(=CCO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
AD51417
Formula: C7H14O4
Smiles:
CCC(O)(C(=O)OC)C(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
