Glycoside
GD127332
Name:
6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-19-oneFormula:
C44H72O19Smiles:
CC(CCC1(O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 12 |
| MolWt: | 905.04 | Num_heavy_atoms: | 63 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51561
Formula: C27H44O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
