Glycoside
GD148973
Name:
6-[1-(5,9-dihydroxy-10,14-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-oxapentacyclo[9.7.0.0²,â´.0âµ,¹â°.0¹â´,¹â¸]octadecan-15-yl)ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-oneFormula:
C40H62O17Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 814.92 | Num_heavy_atoms: | 57 |
| TPSA: | 278.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD58078
Formula: C28H42O7
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 119.75 | NumAromaticRings: | 0 |
