Glycoside
GD135443
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-10',15'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H62O15Smiles:
CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CC(O)C32C)OC12CCCCO2Aglycone:
CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CC(O)C32C)OC12CCCCO2Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 758.9 | Num_heavy_atoms: | 53 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD54765
Formula: C26H42O5
Smiles:
CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CC(O)C32C)OC12CCCCO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 434.62 | Num_heavy_atoms: | 31 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
