Glycoside
GD145800
Name:
Lucilianoside EFormula:
C59H92O31Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(C)CO)C5(C)C(=O)CC6(OC(=O)CC6C)C5(C)CC7)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1CC(=O)OC12CC(=O)C1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.93 |
| AlogP: | -6.16 | Num_rotatable_bonds: | 16 |
| MolWt: | 1297.35 | Num_heavy_atoms: | 90 |
| TPSA: | 477.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD57297
Formula: C26H38O5
Smiles:
CC1CC(=O)OC12CC(=O)C1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.59 | Num_heavy_atoms: | 31 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
Sugarmoiety
SD05407
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O