Glycoside
GD131313
Name:
5,6-bis(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:
C30H32O13Smiles:
CC1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.57 | Num_heavy_atoms: | 43 |
| TPSA: | 198.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD53203
Formula: C24H22O8
Smiles:
CC1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2C(C(=O)O)=COC(O)C12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.43 | Num_heavy_atoms: | 32 |
| TPSA: | 119.36 | NumAromaticRings: | 2 |
