Glycoside
GD032819
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoateFormula:
C23H30O12Smiles:
COc1cc(C(=O)O[C@@H]2C[C@@](C)(O)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)ccc1OAglycone:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD11752
Formula: C17H20O7
Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
