Glycoside
GD114507
Name:
Junceelloside BFormula:
C34H56O8Smiles:
CC(=O)OC1C(O)COC(OC2CCC3(CO)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)(C)O)CCC43)C2)C1OAglycone:
CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.81 | Num_heavy_atoms: | 42 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45098
Formula: C27H46O3
Smiles:
CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
