Glycoside
GD114229
Name:
5,7',9',13'-tetramethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-14',15',16',18'-tetrolFormula:
C32H52O12Smiles:
CC1C2C(CC3C4CCC5(O)CC(O)C(O)C(O)C5(C)C4CCC32C)OC12CCC(C)(OC1OC(CO)C(O)C(O)C1O)O2Aglycone:
CC1C2C(CC3C4CCC5(O)CC(O)C(O)C(O)C5(C)C4CCC32C)OC12CCC(C)(O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 628.76 | Num_heavy_atoms: | 44 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD44917
Formula: C26H42O7
Smiles:
CC1C2C(CC3C4CCC5(O)CC(O)C(O)C(O)C5(C)C4CCC32C)OC12CCC(C)(O)O2| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 466.62 | Num_heavy_atoms: | 33 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
