Glycoside
GD100347
Name:
NoneFormula:
C21H32O11NSmiles:
COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1Aglycone:
COC(=O)C1CCC([NH3+])C1.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.48 | Num_heavy_atoms: | 33 |
| TPSA: | 157.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD26695
Formula: C7H14O2N
Smiles:
COC(=O)C1CCC([NH3+])C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.19 | Num_heavy_atoms: | 10 |
| TPSA: | 53.94 | NumAromaticRings: | 0 |
