Glycoside
GD138256
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C40H64O13Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)(CO)CO6)C(C)C54)C3)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)CO2Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55827
Formula: C28H44O4
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)CO2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
