Glycoside
GD051333
Name:
NoneFormula:
C14H19O7NSmiles:
CCCC(=O)OC[C@@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](O)[C@H]1OAglycone:
CCCC(=O)OC.O=c1cc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 313.31 | Num_heavy_atoms: | 22 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02628
Formula: C5H5O2N
Smiles:
O=c1cc(O)cc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
