Glycoside
GD157956
Name:
7-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}propan-2-yl)-5-hydroxy-10-methyl-2-oxatricyclo[6.3.1.0â´,¹²]dodeca-1(12),3-dien-11-oneFormula:
C26H38O13Smiles:
CC1CC2c3c(coc3C1=O)C(O)CC2C(C)(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC1CC2c3c(coc3C1=O)C(O)CC2C(C)(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.58 | Num_heavy_atoms: | 39 |
| TPSA: | 208.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD62387
Formula: C15H20O4
Smiles:
CC1CC2c3c(coc3C1=O)C(O)CC2C(C)(C)O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
