Glycoside
GD155502
Name:
15-[4-(acetyloxy)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-9-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl 2-hydroxyacetateFormula:
C44H70O17Smiles:
CC(=O)OC1CC(C)(C2C(OC(=O)CO)CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)OC1C(C)(C)OAglycone:
CC(=O)OC1CC(C)(C2C(OC(=O)CO)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)OC1C(C)(C)OSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 871.03 | Num_heavy_atoms: | 61 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD61686
Formula: C34H54O9
Smiles:
CC(=O)OC1CC(C)(C2C(OC(=O)CO)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)OC1C(C)(C)O| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 606.8 | Num_heavy_atoms: | 43 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
