Glycoside
GD092460
Name:
NoneFormula:
C19H23O10NSmiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccccn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Oc1ccccn1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.39 | Num_heavy_atoms: | 30 |
| TPSA: | 136.55 | 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 |
AD40333
Formula: C5H5ON
Smiles:
Oc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.1 | Num_heavy_atoms: | 7 |
| TPSA: | 33.12 | NumAromaticRings: | 1 |
