Glycoside
GD117518
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(7,9,13-trimethyl-6-{3-methyl-4-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]butyl}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-6-en-16-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H74O18Smiles:
COC1OC(OCC(C)CCC2=C(C)C3C(CC4C5CCC6CC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC43C)O2)C(O)C(O)C1OAglycone:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
COC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 903.07 | Num_heavy_atoms: | 63 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD16454
Formula: C27H44O3
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
