Glycoside
GD151821
Name:
7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methoxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbaldehydeFormula:
C22H34O14Smiles:
CC1(O)CCC2C(C=O)=COC(OCC3OC(OC4C(O)OC(CO)C(O)C4O)C(O)C(O)C3O)C21Aglycone:
COC1OC=C(C=O)C2CCC(C)(O)C12Sugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.5 | Num_heavy_atoms: | 36 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD60511
Formula: C11H16O4
Smiles:
COC1OC=C(C=O)C2CCC(C)(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
