Glycoside
GD132857
Name:
2-methyl-6-{[7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-6-en-16-yl]oxy}oxane-3,4,5-triolFormula:
C44H72O17Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(C)C(O)C(O)C6O)CC(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 873.04 | Num_heavy_atoms: | 61 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47901
Formula: C27H44O4
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
