Glycoside
GD126242
Name:
15,16-dihydroxy-2,6,14,17-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadecane-3,11-dioneFormula:
C26H40O11Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2O)C(=O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C(O)C2C13CAglycone:
CC1CC(O)C(=O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C(O)C2C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 528.6 | Num_heavy_atoms: | 37 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51070
Formula: C20H30O6
Smiles:
CC1CC(O)C(=O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C(O)C2C13C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
