Glycoside
GD129926
Name:
8,12,18-trihydroxy-7-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadeca-5,15-dien-13-oneFormula:
C30H38O11Smiles:
COC1CC(C)OC(OC2C=C3CC4OC45C(C(O)C(=O)C4(C)C(C6=CC(=O)OC6)=CCC45O)C3(C)CC2O)C1OAglycone:
CC12CC(O)C(O)C=C1CC1OC13C2C(O)C(=O)C1(C)C(C2=CC(=O)OC2)=CCC13OSugarmoiety:
COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 574.62 | Num_heavy_atoms: | 41 |
| TPSA: | 164.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD52638
Formula: C23H26O8
Smiles:
CC12CC(O)C(O)C=C1CC1OC13C2C(O)C(=O)C1(C)C(C2=CC(=O)OC2)=CCC13O| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.45 | Num_heavy_atoms: | 31 |
| TPSA: | 136.82 | NumAromaticRings: | 0 |
