Glycoside
GD024825
Name:
POPULINFormula:
C21H24O8Smiles:
O=C(OC[C@@H]1O[C@H](COc2ccccc2CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.COc1ccccc1COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD16531
Formula: C8H10O2
Smiles:
COc1ccccc1CO| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
