Glycoside
GD142873
Name:
4-{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:
C36H54O12Smiles:
COC1CC(OC2CCC3(C)C(CCC45CCC(C6=CC(=O)OC6)C(C)(CCC43)C5=O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(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: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD14558
Formula: C23H32O4
Smiles:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=O| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
