Glycoside
GD153168
Name:
6-O-Veratroyl-Shanzhiside Methyl EsterFormula:
C26H34O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(OC(=O)c1ccc(OC)c(OC)c1)CC2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C(OC(=O)c1ccc(OC)c(OC)c1)CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 199.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD60939
Formula: C20H24O9
Smiles:
COC(=O)C1=COC(O)C2C1C(OC(=O)c1ccc(OC)c(OC)c1)CC2(C)O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 120.75 | NumAromaticRings: | 1 |
