Glycoside
GD125126
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'-en-20'-oloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C40H64O14Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CC(O)C5C4CCC4(C)C5CC5OC6(CCC(C)(CO)CO6)C(C)C54)C3)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2C(CC3C4C(O)C=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: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50600
Formula: C28H44O5
Smiles:
CC1C2C(CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)CO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
