Glycoside
GD146969
Name:
Pfaffiaglycoside EFormula:
C33H50O12Smiles:
CC(C)(CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1=C(O)C3=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1=C(O)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.75 | Num_heavy_atoms: | 45 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD58882
Formula: C27H40O7
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1=C(O)C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.61 | Num_heavy_atoms: | 34 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
