Glycoside
GD142706
Name:
2-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17-tetramethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}oxane-3,4,5-triolFormula:
C34H54O9Smiles:
CC(C)(O)C1OC23OC1CCC2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC(C)(O)C1OC23OC1CCC2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 606.8 | Num_heavy_atoms: | 43 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD57422
Formula: C29H46O5
Smiles:
CC(C)(O)C1OC23OC1CCC2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
