Glycoside
GD132636
Name:
4a,6,7-trihydroxy-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:
C16H24O12Smiles:
CC1(O)C(O)CC2(O)C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)C(O)CC2(O)C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.36 | Num_heavy_atoms: | 28 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53701
Formula: C10H14O7
Smiles:
CC1(O)C(O)CC2(O)C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.22 | Num_heavy_atoms: | 17 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
