Glycoside
GD128905
Name:
Pentandroside AFormula:
C38H62O13Smiles:
CC(CO)CCC(O)C(C)C1C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47857
Formula: C27H44O4
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
