Glycoside
GD150157
Name:
(6-hydroxy-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C24H30O13Smiles:
COc1cc(C(=O)OCC23C4OC5(O)CC(C)(O4)C2(OC2OC(CO)C(O)C(O)C2O)CC53)ccc1OAglycone:
COc1cc(C(=O)OCC23C4OC5(O)CC(C)(O4)C2(O)CC53)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD59998
Formula: C18H20O8
Smiles:
COc1cc(C(=O)OCC23C4OC5(O)CC(C)(O4)C2(O)CC53)ccc1O| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
