Glycoside
GD139763
Name:
pyridylpaeoniflorinFormula:
C22H27O11NSmiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4cccnc4)C3CC21OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4cccnc4)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.45 | Num_heavy_atoms: | 34 |
| TPSA: | 177.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD56361
Formula: C16H17O6N
Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4cccnc4)C3CC21O| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.31 | Num_heavy_atoms: | 23 |
| TPSA: | 98.11 | NumAromaticRings: | 1 |
