Glycoside
GD154957
Name:
methyl 6-[6-(acetyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C35H50O20Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C1=COC(OC3OC(CO)C(O)C(O)C3O)C3C1CC(OC(C)=O)C3C)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1=COC(O)C3C1CC(OC(C)=O)C3C)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 790.77 | Num_heavy_atoms: | 55 |
| TPSA: | 296.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD61504
Formula: C23H30O10
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1=COC(O)C3C1CC(OC(C)=O)C3C)C2C| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
