Glycoside
GD114513
Name:
[3,4,5-tris(acetyloxy)-6-{[4-(acetyloxy)-3,9-dimethyl-6-methylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-8-yl]oxy}oxan-2-yl]methyl acetateFormula:
C31H42O14Smiles:
C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C1CC(OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C2CAglycone:
C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C1CC(O)C2C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.66 | Num_heavy_atoms: | 45 |
| TPSA: | 176.26 | 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 |
AD45103
Formula: C17H24O5
Smiles:
C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C1CC(O)C2C| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 308.37 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
