Glycoside
GD124037
Name:
Lucilianoside CFormula:
C48H76O23Smiles:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(OC2OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C(O)C(O)C2O)C(CO)(CO)C1CC3Aglycone:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(CO)(CO)C1CC3Sugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 1021.11 | Num_heavy_atoms: | 71 |
| TPSA: | 363.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD49815
Formula: C26H40O5
Smiles:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(CO)(CO)C1CC3| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.6 | Num_heavy_atoms: | 31 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
