Glycoside
GD009927
Name:
PAEONIDANIN CFormula:
C31H34O13Smiles:
CO[C@@H]1O[C@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccccc1.COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.6 | Num_heavy_atoms: | 44 |
| TPSA: | 187.51 | 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 |
AD07736
Formula: C18H20O7
Smiles:
COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccc(O)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
