Glycoside
GD153870
Name:
[3,4,5-tris(acetyloxy)-6-({3-methyl-6,9-dimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl acetateFormula:
C29H38O12Smiles:
C=C1CCC2C(C)C(=O)OC2C2C(=C)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)CC12Aglycone:
C=C1CCC2C(C)C(=O)OC2C2C(=C)C(O)CC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.69 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.61 | Num_heavy_atoms: | 41 |
| TPSA: | 149.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD12911
Formula: C15H20O3
Smiles:
C=C1CCC2C(C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
