Glycoside
GD002790
Name:
PAEONIN BFormula:
C16H22O9Smiles:
CC1=CC(=O)[C@@H]2C[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC=C2COAglycone:
CC1=CC(=O)C2CC1(O)OC=C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD02621
Formula: C10H12O4
Smiles:
CC1=CC(=O)C2CC1(O)OC=C2CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
