Glycoside
GD123351
Name:
Periforgenin A 3-O-Beta-CymaropyranosideFormula:
C30H44O8Smiles:
COC1CC(OC2CCC3(C)C4CCC5(C)C(=O)C4(CCC5C4=CC(=O)OC4)CCC3(O)C2)OC(C)C1OAglycone:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1(O)CC(O)CCC31C)C2=OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49772
Formula: C23H32O5
Smiles:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1(O)CC(O)CCC31C)C2=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
