Glycoside
GD158211
Name:
3,9,23-trihydroxy-1,5,20-trimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-22-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹â°.0âµ,â¹.0¹â°,¹².0¹â¶,²âµ.0¹â¸,²³]hexacosan-4-oneFormula:
C35H48O16Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2O)C2(O)OC3CC4(C)C(CC3OC2O1)CC1OC12C4C(O)C(=O)C1(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC1CC(O)C2(O)OC3CC4(C)C(CC3OC2O1)CC1OC12C4C(O)C(=O)C1(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 724.75 | Num_heavy_atoms: | 51 |
| TPSA: | 243.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD62473
Formula: C29H38O11
Smiles:
CC1CC(O)C2(O)OC3CC4(C)C(CC3OC2O1)CC1OC12C4C(O)C(=O)C1(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 11 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 562.61 | Num_heavy_atoms: | 40 |
| TPSA: | 164.51 | NumAromaticRings: | 0 |
