Glycoside
GD115144
Name:
9-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10-(hydroxymethyl)-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]tetracosan-22-oneFormula:
C42H68O14Smiles:
CC1(C)OC(=O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(CO)C3CCC21CAglycone:
CC1(C)OC(=O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCC(O)C(C)(CO)C3CCC21CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45494
Formula: C30H48O4
Smiles:
CC1(C)OC(=O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCC(O)C(C)(CO)C3CCC21C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
