Glycoside
GD029204
Name:
BENZOYLPAEONIFLORINFormula:
C30H32O12Smiles:
C[C@@]12C[C@]3(O)O[C@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.57 | Num_heavy_atoms: | 42 |
| TPSA: | 170.44 | 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 |
AD00766
Formula: C17H18O6
Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
