Glycoside
GD120579
Name:
7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1H-pyrrolizin-1-oneFormula:
C14H19O7NSmiles:
O=C1CCn2ccc(COC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1CCn2ccc(CO)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.31 | Num_heavy_atoms: | 22 |
| TPSA: | 121.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD48461
Formula: C8H9O2N
Smiles:
O=C1CCn2ccc(CO)c21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 42.23 | NumAromaticRings: | 1 |
