Glycoside
GD114457
Name:
Deapio-Platyconic Acid B LactoneFormula:
C58H90O29Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC7OC(=O)C(CO)(C7OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC6OC(=O)C(CO)(C6O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.93 |
| AlogP: | -5.45 | Num_rotatable_bonds: | 13 |
| MolWt: | 1251.33 | Num_heavy_atoms: | 87 |
| TPSA: | 459.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD45070
Formula: C30H44O7
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC6OC(=O)C(CO)(C6O)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
Sugarmoiety
SD01412
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O