Glycoside
GD157656
Name:
2-[(2-{[9,13-dimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-6-en-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H72O18Smiles:
CC(CCC1=CC2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1=CC2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)O1Sugarmoiety:
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: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 889.04 | Num_heavy_atoms: | 62 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD62313
Formula: C26H42O3
Smiles:
CC(CO)CCC1=CC2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.62 | Num_heavy_atoms: | 29 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
