Glycoside
GD142695
Name:
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-carboxylic acidFormula:
C22H32O16Smiles:
O=C(OC1OC(CO)C(O)C(O)C1O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C(=O)O)CCC12Aglycone:
O=C(O)C1=COC(O)C2C(C(=O)O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.82 |
| AlogP: | -4.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.48 | Num_heavy_atoms: | 38 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD47065
Formula: C10H12O6
Smiles:
O=C(O)C1=COC(O)C2C(C(=O)O)CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
