Glycoside
GD147055
Name:
2-({15-[6-(1,2-dihydroxypropan-2-yl)oxan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C42H70O14Smiles:
CC(O)(CO)C1CCC(C2CCC3(C)C4CCC5C(C)(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC56CC46CCC23C)CO1Aglycone:
CC(O)(CO)C1CCC(C2CCC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)CO1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD58904
Formula: C30H50O4
Smiles:
CC(O)(CO)C1CCC(C2CCC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)CO1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
