Glycoside
GD148450
Name:
Mimengoside AFormula:
C54H88O21Smiles:
CC1OC(OC2C(CO)OC(OC3C(O)C(O)OC(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CCC(C)(C)CC85)CCC67C)C4(C)CO)C3CC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(O)OC(O)C3CC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 1073.28 | Num_heavy_atoms: | 75 |
| TPSA: | 336.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47583
Formula: C30H48O3
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
