Glycoside
GD015049
Name:
(6-methoxy-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 benzoateFormula:
C24H30O11Smiles:
CO[C@@]12C[C@]3(C)O[C@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]2C[C@]31O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 153.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD08968
Formula: C18H20O6
Smiles:
COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31O| HBA: | 6 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 74.22 | NumAromaticRings: | 1 |
