Glycoside
GD118632
Name:
6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-14,15,16,17-tetrolFormula:
C40H68O18Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5(OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 836.97 | Num_heavy_atoms: | 58 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47452
Formula: C28H48O8
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.68 | Num_heavy_atoms: | 36 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
