Glycoside
GD134807
Name:
4-{4-hydroxy-6-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9,13-dimethyl-17-oxotetracyclo[11.3.1.0¹,¹â°.0â´,â¹]heptadecan-14-yl}-2,5-dihydrofuran-2-oneFormula:
C36H54O13Smiles:
COC1CC(OC2CCC3(C)C4CCC5(C)C(=O)C4(CCC5C4=CC(=O)OC4)CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1(O)CC(O)CCC31C)C2=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 694.82 | Num_heavy_atoms: | 49 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD49772
Formula: C23H32O5
Smiles:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1(O)CC(O)CCC31C)C2=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
