Glycoside
GD129535
Name:
6-{[22-carboxy-23-(methoxymethyl)-10,10,12,14,25-pentamethyloctacyclo[23.3.1.1¹¹,¹âµ.0¹,²².0²,¹â¹.0â´,¹³.0â·,¹².0¹â´,¹â¹]triaconta-2,27-dien-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C44H64O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CC7CCCC2(CCC13C(=O)O)C7(C)C4C56CAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CC7CCCC2(CCC13C(=O)O)C7(C)C4C56CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 752.99 | Num_heavy_atoms: | 54 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52470
Formula: C38H56O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CC7CCCC2(CCC13C(=O)O)C7(C)C4C56C| HBA: | 4 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 8.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 576.86 | Num_heavy_atoms: | 42 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
