Glycoside
GD115020
Name:
6-(4-hydroxybenzoyloxy)-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:
C23H28O12Smiles:
CC1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD45421
Formula: C17H18O7
Smiles:
CC1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
