Glycoside
GD101528
Name:
NoneFormula:
C22H30O11N2Smiles:
COCCOc1cc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccn1Aglycone:
COC(C)=O.COCCOc1cc(N)ccn1Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 498.49 | Num_heavy_atoms: | 35 |
| TPSA: | 157.81 | NumAromaticRings: | 1 |
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 |
AD27886
Formula: C8H12O2N2
Smiles:
COCCOc1cc(N)ccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 168.2 | Num_heavy_atoms: | 12 |
| TPSA: | 57.37 | NumAromaticRings: | 1 |
