Glycoside
GD133676
Name:
16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadec-4-en-3-oneFormula:
C27H42O11Smiles:
COC1=CCC2CC3OC(OC4OC(CO)C(O)C(O)C4O)CC4C(C)C(OC)C(O)C(C2(C)C1=O)C34CAglycone:
COC1=CCC2CC3OC(O)CC4C(C)C(OC)C(O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.62 | Num_heavy_atoms: | 38 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD54091
Formula: C21H32O6
Smiles:
COC1=CCC2CC3OC(O)CC4C(C)C(OC)C(O)C(C2(C)C1=O)C34C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.48 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
