Glycoside
GD093896
Name:
NoneFormula:
C21H35O11N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C[C@H](O)CN2CCOCC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]CC(O)CN1CCOCC1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]Other Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 491.51 | Num_heavy_atoms: | 34 |
| TPSA: | 163.74 | 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 |
AD40481
Formula: C7H17O2N2
Smiles:
[NH3+]CC(O)CN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 161.22 | Num_heavy_atoms: | 11 |
| TPSA: | 60.34 | NumAromaticRings: | 0 |
