Glycoside
GD139119
Name:
NoneFormula:
C12H24O12N2Smiles:
O=C(CC[NH+](O)O)OC1C(O)OC(CO[C-]([O-])CC[NH+](O)O)C(O)C1OAglycone:
CO[C-]([O-])CC[NH+](O)O.O=C(O)CC[NH+](O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -6.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 388.33 | Num_heavy_atoms: | 26 |
| TPSA: | 218.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD46649
Formula: C4H10O4N
Smiles:
CO[C-]([O-])CC[NH+](O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 136.13 | Num_heavy_atoms: | 9 |
| TPSA: | 77.19 | NumAromaticRings: | 0 |
AD46650
Formula: C3H8O4N
Smiles:
O=C(O)CC[NH+](O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 122.1 | Num_heavy_atoms: | 8 |
| TPSA: | 82.2 | NumAromaticRings: | 0 |