Glycoside
GD139887
Name:
14,16-dihydroxy-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:
C27H42O12Smiles:
COC1=CCC2CC3OC(OC4OC(CO)C(O)C(O)C4O)CC4C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34CAglycone:
COC1=CCC2CC3OC(O)CC4C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.62 | Num_heavy_atoms: | 39 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD56415
Formula: C21H32O7
Smiles:
COC1=CCC2CC3OC(O)CC4C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
