Glycoside
GD148555
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{1',5,7',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H62O12Smiles:
CC1CCC2(OC1)OC1CC3C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC5=CCC34C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C(CCC4C5(C)CCC(O)CC5=CCC34C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 722.91 | Num_heavy_atoms: | 51 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD59445
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C(CCC4C5(C)CCC(O)CC5=CCC34C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
