Glycoside
GD149604
Name:
16-hydroxy-14-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-(hydroxymethyl)-9,13-dimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-oneFormula:
C39H60O18Smiles:
CC1OC(OC2C(OC3CC(O)CC4=CCC5C6CC7OC(=O)C(CO)C7C6(C)CCC5C43C)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC3C(CC=C4CC(O)CC(O)C43C)C1CC1OC(=O)C(CO)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 816.89 | Num_heavy_atoms: | 57 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD11896
Formula: C22H32O5
Smiles:
CC12CCC3C(CC=C4CC(O)CC(O)C43C)C1CC1OC(=O)C(CO)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.49 | Num_heavy_atoms: | 27 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
