Glycoside
GD124932
Name:
2-{[9-chloro-15-(5-ethyl-6-methylheptan-2-yl)-2,16-dimethyl-7-oxapentacyclo[9.7.0.0²,â¸.0â¶,â¸.0¹²,¹â¶]octadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H59O7ClSmiles:
CCC(CCC(C)C1CCC2C3CC(Cl)C45OC4C(OC4OC(CO)C(O)C(O)C4O)CCC5(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC(Cl)C45OC4C(O)CCC5(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 627.3 | Num_heavy_atoms: | 43 |
| TPSA: | 111.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50508
Formula: C30H49O2Cl
Smiles:
CCC(CCC(C)C1CCC2C3CC(Cl)C45OC4C(O)CCC5(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 7.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.16 | Num_heavy_atoms: | 32 |
| TPSA: | 32.76 | NumAromaticRings: | 0 |
