Glycoside
GD155823
Name:
2-{[22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxahexacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹²]tetracosa-4,11,14-trien-9-yl]oxy}oxane-3,4,5-triolFormula:
C35H52O8Smiles:
CC1CC2OC3(CC4(C)C5=CCC6C(=CCC(OC7OCC(O)C(O)C7O)C6(C)C)CC5=CCC4(C)C13)OC2C(C)(C)OAglycone:
CC1CC2OC3(CC4(C)C5=CCC6C(=CCC(O)C6(C)C)CC5=CCC4(C)C13)OC2C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 600.79 | Num_heavy_atoms: | 43 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD61763
Formula: C30H44O4
Smiles:
CC1CC2OC3(CC4(C)C5=CCC6C(=CCC(O)C6(C)C)CC5=CCC4(C)C13)OC2C(C)(C)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
