Glycoside

GD126815
Name:
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 4-methoxybenzoateFormula:
C24H30O12Smiles:
COc1ccc(C(=O)OC2CC3(O)C(C=O)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)cc1Aglycone:
COc1ccc(C(=O)OC2CC3(O)C(C=O)=COC(O)C3C2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.58 |
AlogP: | -1.14 | Num_rotatable_bonds: | 7 |
MolWt: | 510.49 | Num_heavy_atoms: | 36 |
TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD51331
Formula: C18H20O7
Smiles:
COc1ccc(C(=O)OC2CC3(O)C(C=O)=COC(O)C3C2C)cc1HBA: | 7 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.44 |
AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
MolWt: | 348.35 | Num_heavy_atoms: | 25 |
TPSA: | 102.29 | NumAromaticRings: | 1 |