Glycoside
GD127921
Name:
2-[(benzoyloxy)methyl]-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decane-6-sulfonic acidFormula:
C23H28O13SSmiles:
CC12CC3(S(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CC3(S(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.53 | Num_heavy_atoms: | 37 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD51817
Formula: C17H18O8S
Smiles:
CC12CC3(S(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.39 | Num_heavy_atoms: | 26 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
