Glycoside
GD154738
Name:
Dodoneaside BFormula:
C57H88O22Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 1125.31 | Num_heavy_atoms: | 79 |
| TPSA: | 339.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD61431
Formula: C40H62O7
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21C| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 654.93 | Num_heavy_atoms: | 47 |
| TPSA: | 105.59 | NumAromaticRings: | 0 |
