Glycoside
GD132701
Name:
6-{[12-carboxy-11-(methoxymethyl)-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:
C42H60O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC45C=CCC2(CCC13C(=O)O)C4(C)CCC1C(C)(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)CCC15CAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CCC45C=CCC2(CCC13C(=O)O)C4(C)CCC1C(C)(C)C(O)CCC15CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.93 | Num_heavy_atoms: | 52 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53724
Formula: C36H52O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC45C=CCC2(CCC13C(=O)O)C4(C)CCC1C(C)(C)C(O)CCC15C| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 7.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.81 | Num_heavy_atoms: | 40 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
