Glycoside
GD124616
Name:
Mimengoside GFormula:
C54H88O21Smiles:
CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4CCC5(C)C6=CC=C7C8CC(C)(C)CCC8(CO)CCC7(C)C6(C)CCC5C4(C)CO)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(CO)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(C)OC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 1073.28 | Num_heavy_atoms: | 75 |
| TPSA: | 336.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD17999
Formula: C30H48O3
Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
