Glycoside
GD117482
Name:
2-[(2-{16-hydroxy-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-8-yl}-5-methylhex-4-en-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H58O9Smiles:
COC1OC23C=CC4C1(CCC1(C)C(C(C)C(C=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC41C)C2CCC(O)C3(C)CAglycone:
COC1OC23C=CC4C1(CCC1(C)C(C(C)C(O)C=C(C)C)CCC41C)C2CCC(O)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD46846
Formula: C30H48O4
Smiles:
COC1OC23C=CC4C1(CCC1(C)C(C(C)C(O)C=C(C)C)CCC41C)C2CCC(O)C3(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
