Glycoside
GD127762
Name:
Pentandroside CFormula:
C38H62O14Smiles:
CC(CO)CCC(O)C(C)C1C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)CC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21CAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21CSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.9 | Num_heavy_atoms: | 52 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD51748
Formula: C27H44O5
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
