Glycoside
GD128971
Name:
18',19'-dihydroxy-5,7',9',13'-tetramethyl-4,15'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-yl benzoateFormula:
C46H68O18Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(O)C5(O)CC(OC(=O)c6ccccc6)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(OC(=O)c6ccccc6)C(O)CC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 909.03 | Num_heavy_atoms: | 64 |
| TPSA: | 283.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD52239
Formula: C34H48O8
Smiles:
CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(OC(=O)c6ccccc6)C(O)CC5(C)C4CCC3(C)C1C2C| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
