Glycoside
GD128289
Name:
5-hydroxy-2-[(6-{[4-hydroxy-6-({4-hydroxy-6-[(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxan-3-yl acetateFormula:
C35H58O18Smiles:
COC1CC(=O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4OC(C)=O)C(C)O3)C(C)O2)C(C)O1Aglycone:
COC1CC(=O)OC(C)C1OSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 766.83 | Num_heavy_atoms: | 53 |
| TPSA: | 214.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD44278
Formula: C7H12O4
Smiles:
COC1CC(=O)OC(C)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
