Glycoside
GD126611
Name:
2-{[2-({21-ethyl-17-hydroxy-12,16,18,22-tetramethyl-24,25,26-trioxaheptacyclo[18.4.1.1¹â¹,²².0¹,¹â·.0³,¹â¶.0â´,¹³.0â·,¹²]hexacos-4-en-9-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H64O15Smiles:
CCC1C2OC34CC5C6=CCC7CC(OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)CCC7(C)C6CCC5(C)C3(O)C(C)C2OC1(C)CO4Aglycone:
CCC1C2OC34CC5C6=CCC7CC(O)CCC7(C)C6CCC5(C)C3(O)C(C)C2OC1(C)CO4Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51244
Formula: C29H44O5
Smiles:
CCC1C2OC34CC5C6=CCC7CC(O)CCC7(C)C6CCC5(C)C3(O)C(C)C2OC1(C)CO4| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
