Glycoside
GD138598
Name:
[3,4,5-tris(acetyloxy)-6-{[8-(6-methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-16-yl]oxy}oxan-2-yl]methyl acetateFormula:
C45H68O12Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C5(C)CAglycone:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 7.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 801.03 | Num_heavy_atoms: | 57 |
| TPSA: | 142.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11375
Formula: C31H50O3
Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
