Glycoside
GD142179
Name:
10,20,22-trihydroxy-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]pentacosane-14-carbaldehydeFormula:
C35H50O15Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)CC3OC2O1Aglycone:
CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)CC3OC2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 710.77 | Num_heavy_atoms: | 50 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD49251
Formula: C29H40O10
Smiles:
CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)CC3OC2O1| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
