Glycoside
GD148971
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[18-(2-hydroxypropan-2-yl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²².0¹â¶,²â°]pentacosan-7-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H68O14Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC45CO7)OC4CC(C(C)(C)O)OC46C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CC2OC34CC5(CO3)C(CCC3C6(C)CCC(O)C(C)(C)C6CCC35C)C4C2(C)O1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 206.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD59581
Formula: C30H48O5
Smiles:
CC(C)(O)C1CC2OC34CC5(CO3)C(CCC3C6(C)CCC(O)C(C)(C)C6CCC35C)C4C2(C)O1| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
