Glycoside
GD158376
Name:
Mimengoside CFormula:
C54H88O22Smiles:
CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CCC7(CO)C(O)CC56C)C4(C)CO)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1Sugarmoiety:
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: | 22 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 1089.28 | Num_heavy_atoms: | 76 |
| TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00662
Formula: C30H48O4
Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
