Glycoside
GD154746
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylateFormula:
C36H58O11Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CCC5C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)C(O)CC(O)C56CC46CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CC(O)C56CC46CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 666.85 | Num_heavy_atoms: | 47 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD61435
Formula: C30H48O6
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CC(O)C56CC46CCC23C)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
