Glycoside
GD149536
Name:
6-{[8-carboxy-9-(methoxymethyl)-11,24,24,28,29-pentamethyloctacyclo[19.7.1.1¹¹,¹âµ.0¹,¹â¸.0âµ,¹â¶.0âµ,²â¸.0â¸,¹âµ.0²âµ,²â¹]triaconta-2,13,16-trien-23-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C44H62O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC7(C)C2(CC=CC47C56C)CCC13C(=O)OAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC7(C)C2(CC=CC47C56C)CCC13C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 750.97 | Num_heavy_atoms: | 54 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59785
Formula: C38H54O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC7(C)C2(CC=CC47C56C)CCC13C(=O)O| HBA: | 4 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 7.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 574.85 | Num_heavy_atoms: | 42 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
