Glycoside
GD028273
Name:
BenzoyloxypaeoniflorinFormula:
C30H32O13Smiles:
C[C@@]12C[C@]3(O)OC(O1)[C@]1(COC(=O)c4ccc(O)cc4)[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)c4ccc(O)cc4)C3CC21O.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.57 | Num_heavy_atoms: | 43 |
| TPSA: | 190.67 | 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 |
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 |
