Glycoside
GD143919
Name:
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C31H46O19Smiles:
CC1CCC2C(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C(O)(CO)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1CCC2C(C(=O)OC3C4C=COC(O)C4C(O)(CO)C3O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.84 |
| AlogP: | -5.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 722.69 | Num_heavy_atoms: | 50 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD57863
Formula: C19H26O9
Smiles:
CC1CCC2C(C(=O)OC3C4C=COC(O)C4C(O)(CO)C3O)=COC(O)C12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
