Glycoside
GD093608
Name:
NoneFormula:
C20H28O11N2Smiles:
CC(=O)N[C@@H]1[C@H](OCCN2C(=O)CCC2=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C1CCC(=O)N1CCOSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.45 | Num_heavy_atoms: | 33 |
| TPSA: | 163.84 | 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 |
AD04188
Formula: C6H9O3N
Smiles:
O=C1CCC(=O)N1CCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 143.14 | Num_heavy_atoms: | 10 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
