Glycoside
GD092359
Name:
NoneFormula:
C19H28O10N2Smiles:
C=C/C(=N\COC)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
C=CC(N)=NCOC.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.44 | Num_heavy_atoms: | 31 |
| TPSA: | 148.05 | 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 |
AD40295
Formula: C5H10ON2
Smiles:
C=CC(N)=NCOC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.15 | Num_heavy_atoms: | 8 |
| TPSA: | 47.61 | NumAromaticRings: | 0 |
