Glycoside
GD105424
Name:
NoneFormula:
C26H43O7NSmiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)OC.O=c1cc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 17 |
| MolWt: | 481.63 | Num_heavy_atoms: | 34 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
