Glycoside
GD158356
Name:
4-{6-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,9,10,13-tetramethyl-17-oxotetracyclo[11.3.1.0¹,¹â°.0â´,â¹]heptadecan-14-yl}-2,5-dihydrofuran-2-oneFormula:
C38H58O12Smiles:
COC1CC(OC2CCC3(C)C(C)(CCC45CCC(C6=CC(=O)OC6)C(C)(CCC43C)C5=O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3(C)C(CCC1C1=CC(=O)OC1)(CCC1(C)CC(O)CCC13C)C2=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 706.87 | Num_heavy_atoms: | 50 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62517
Formula: C25H36O4
Smiles:
CC12CCC3(C)C(CCC1C1=CC(=O)OC1)(CCC1(C)CC(O)CCC13C)C2=O| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.56 | Num_heavy_atoms: | 29 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
