Glycoside
GD124105
Name:
10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2,5-dihydrofuran-3-yl)-9-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0âµ,¹â°.0¹âµ,²³.0¹â¸,²²]pentacosane-14-carbaldehydeFormula:
C35H50O15Smiles:
CC1CC(OC2(O)OC(CO)C(O)C(O)C2O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1Aglycone:
CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 710.77 | Num_heavy_atoms: | 50 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD08231
Formula: C29H40O9
Smiles:
CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
