Glycoside
GD096321
Name:
NoneFormula:
C20H31O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCN(C(C)=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=O)N1CCC([NH3+])C1.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]Other Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.47 | Num_heavy_atoms: | 32 |
| 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 |
AD40968
Formula: C6H13ON2
Smiles:
CC(=O)N1CCC([NH3+])C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.18 | Num_heavy_atoms: | 9 |
| TPSA: | 47.95 | NumAromaticRings: | 0 |
