Glycoside
GD096340
Name:
NoneFormula:
C22H33O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCN(C3CC3)C(=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]C1CCN(C2CC2)C(=O)C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]Other Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.51 | Num_heavy_atoms: | 34 |
| TPSA: | 151.35 | 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 |
AD26697
Formula: C8H15ON2
Smiles:
[NH3+]C1CCN(C2CC2)C(=O)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.22 | Num_heavy_atoms: | 11 |
| TPSA: | 47.95 | NumAromaticRings: | 0 |
