Glycoside
GD120267
Name:
methyl 1-(acetyloxy)-3-hydroxy-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylateFormula:
C20H30O11Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)OC(C)=OAglycone:
COC(=O)C1=CCC(O)C2C1C(O)CC2(C)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.45 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48290
Formula: C14H20O6
Smiles:
COC(=O)C1=CCC(O)C2C1C(O)CC2(C)OC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.31 | Num_heavy_atoms: | 20 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
