Glycoside
GD128305
Name:
Lucilianoside AFormula:
C61H98O32Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(C)CO)C5(C)CCC6(OC(=O)CC6C)C5(C)CC7)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1CC(=O)OC12CCC1(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)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 11 |
| HBD: | 18 | FractionCSP3: | 0.95 |
| AlogP: | -6.61 | Num_rotatable_bonds: | 17 |
| MolWt: | 1343.42 | Num_heavy_atoms: | 93 |
| TPSA: | 501.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD51974
Formula: C26H40O4
Smiles:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 416.6 | Num_heavy_atoms: | 30 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD05838
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O