Glycoside
GD136347
Name:
methyl 4a-hydroxy-7-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C23H34O16Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COCC3(O)OC(CO)C(O)C3O)=CCC12OAglycone:
COCC1=CCC2(O)C(C(=O)OC)=COC(O)C12Sugarmoiety:
OCC1OC(O)(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -5.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.51 | Num_heavy_atoms: | 39 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD55110
Formula: C12H16O6
Smiles:
COCC1=CCC2(O)C(C(=O)OC)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
