Glycoside
GD157540
Name:
10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2,5-dihydrofuran-3-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0âµ,¹â°.0¹âµ,²³.0¹â¸,²²]pentacos-1(25)-ene-14-carbaldehydeFormula:
C35H48O14Smiles:
CC1CC(OC2OC(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)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 692.76 | Num_heavy_atoms: | 49 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD62275
Formula: C29H38O9
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: | 0.79 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.61 | Num_heavy_atoms: | 38 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
