Glycoside
GD147713
Name:
2-({4,5-dihydroxy-2-[(6-hydroxy-7,9,13-trimethyl-6-{3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butyl}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-16-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H74O18Smiles:
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)C1OC(CO)C(O)C(O)C1OAglycone:
CCCCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(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: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 891.06 | Num_heavy_atoms: | 62 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59150
Formula: C26H44O3
Smiles:
CCCCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 404.64 | Num_heavy_atoms: | 29 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
