Glycoside

GD127320
Name:
6-(benzoyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C23H28O11Smiles:
CC1C(OC(=O)c2ccccc2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)c2ccccc2)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.57 |
AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
MolWt: | 480.47 | Num_heavy_atoms: | 34 |
TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD51556
Formula: C17H18O6
Smiles:
CC1C(OC(=O)c2ccccc2)CC2C(C(=O)O)=COC(O)C21HBA: | 6 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.41 |
AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
MolWt: | 318.32 | Num_heavy_atoms: | 23 |
TPSA: | 93.06 | NumAromaticRings: | 1 |