Glycoside
GD120333
Name:
6-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C41H68O14Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OCC(O)(CO)C6O)CCC56CC46CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
