Glycoside
GD123634
Name:
7-[(acetyloxy)methyl]-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C18H24O12Smiles:
CC(=O)OCC1(O)C=CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC(=O)OCC1(O)C=CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.38 | Num_heavy_atoms: | 30 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD49911
Formula: C12H14O7
Smiles:
CC(=O)OCC1(O)C=CC2C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
