Glycoside
GD144850
Name:
Echinosophoroside BFormula:
C52H84O22Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)C(O)C(OC8OCC(O)C(O)C8O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 1061.22 | Num_heavy_atoms: | 74 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46971
Formula: C30H50O4
Smiles:
CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1O| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
