Glycoside
GD130255
Name:
2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-oloxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C39H62O14Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1Aglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD02843
Formula: C27H42O4
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
