Glycoside
GD153432
Name:
2,3,4-trihydroxy-5-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}pentanalFormula:
C35H56O9Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OCC(O)C(O)C(O)C=O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCCC(C)(C)C5CCC4C1(C)C3OSugarmoiety:
O=CC(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61021
Formula: C30H48O4
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCCC(C)(C)C5CCC4C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
