Glycoside
GD093575
Name:
Paeonin CFormula:
C23H28O12Smiles:
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD08969
Formula: C17H18O7
Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21O| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
