Glycoside
GD127258
Name:
3,5-dihydroxy-6-({16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosan-10-yl}oxy)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C41H64O14Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7O)CCC6(C)C5CC(O)C4(OC2=O)C3C1Aglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CC(O)C4(OC2=O)C3C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD00422
Formula: C30H48O4
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CC(O)C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
