Glycoside
GD135689
Name:
6-{[7-carboxy-8-(methoxymethyl)-10,23,23,28-tetramethyl-30-(3-oxopropyl)octacyclo[18.6.2.1¹,âµ.1¹â°,¹â´.0â·,¹â´.0¹â·,²â·.0²â´,²â¸.0¹âµ,³â°]triaconta-12,15-dien-22-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C46H66O11Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC7(CCCC(CC13C(=O)O)C27CCC=O)C4C56CAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC7(CCCC(CC13C(=O)O)C27CCC=O)C4C56CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 795.02 | Num_heavy_atoms: | 57 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD54866
Formula: C40H58O5
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC7(CCCC(CC13C(=O)O)C27CCC=O)C4C56C| HBA: | 5 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 8.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.9 | Num_heavy_atoms: | 45 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
