Glycoside
GD083114
Name:
NoneFormula:
C16H23O11NSmiles:
COC(=O)N[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COC(N)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.36 | Num_heavy_atoms: | 28 |
| TPSA: | 152.76 | 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 |
AD07653
Formula: C2H5O2N
Smiles:
COC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
