Glycoside
GD156113
Name:
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 3,4,5-trihydroxyoxan-2-yl carbonateFormula:
C36H56O11Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC(=O)OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC(=O)O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD61853
Formula: C31H48O7
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC(=O)O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.72 | Num_heavy_atoms: | 38 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
