Glycoside
GD002714
Name:
PaucinFormula:
C23H32O10Smiles:
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OC4OC(COC(C)=O)C(O)C(O)C4O)CC(=O)[C@@]3(C)C[C@H]12Aglycone:
C=C1C(=O)OC2CC(C)C3C(O)CC(=O)C3(C)CC12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02555
Formula: C15H20O4
Smiles:
C=C1C(=O)OC2CC(C)C3C(O)CC(=O)C3(C)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
