Glycoside
GD132723
Name:
6-({12-carboxy-9,16,20,20,24-pentamethylheptacyclo[13.9.3.1âµ,â¹.0¹,¹â¶.0â´,¹âµ.0âµ,¹².0¹â¹,²â´]octacosa-3,6,25-trien-21-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C40H56O9Smiles:
CC12CC=CC3(C1)C1=CCC45C=CCC1(CCC3(C(=O)O)CC2)C4(C)CCC1C(C)(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)CCC15CAglycone:
CC12CC=CC3(C1)C1=CCC45C=CCC1(CCC3(C(=O)O)CC2)C4(C)CCC1C(C)(C)C(O)CCC15CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 680.88 | Num_heavy_atoms: | 49 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53734
Formula: C34H48O3
Smiles:
CC12CC=CC3(C1)C1=CCC45C=CCC1(CCC3(C(=O)O)CC2)C4(C)CCC1C(C)(C)C(O)CCC15C| HBA: | 3 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 7.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.76 | Num_heavy_atoms: | 37 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
