Glycoside
GD079516
Name:
NoneFormula:
C17H28O11NSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C[C@H](O)CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]CC(O)COSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 422.41 | Num_heavy_atoms: | 29 |
| TPSA: | 171.5 | 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 |
AD36352
Formula: C3H10O2N
Smiles:
[NH3+]CC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.12 | Num_heavy_atoms: | 6 |
| TPSA: | 68.1 | NumAromaticRings: | 0 |
