Glycoside
GD152531
Name:
2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-14',17'-dioloxy}oxane-3,4,5-triolFormula:
C38H62O15Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(OC6OCC(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 758.9 | Num_heavy_atoms: | 53 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53196
Formula: C27H44O6
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
