Glycoside
GD118702
Name:
7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C24H34O17SSmiles:
CSC(=O)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -4.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.59 | Num_heavy_atoms: | 42 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD13525
Formula: C12H14O7S
Smiles:
CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.3 | Num_heavy_atoms: | 20 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
