Glycoside
GD114624
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{4,7',9',13'-tetramethyl-5'-oxaspiro[cyclohexane-1,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H66O12Smiles:
CC1CCC2(CC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(CC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 738.96 | Num_heavy_atoms: | 52 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD45175
Formula: C28H46O2
Smiles:
CC1CCC2(CC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.67 | Num_heavy_atoms: | 30 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
