Glycoside
GD137201
Name:
Pentandroside EFormula:
C44H76O18Smiles:
CC(C)CCC(O)C(C)C1C(OC2OCC(O)C(O)C2O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CC(O)C21CAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CC(O)C21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 893.07 | Num_heavy_atoms: | 62 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD55441
Formula: C27H48O4
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.68 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
