Glycoside
GD011141
Name:
3,5-dihydroxy-4-oxo-2-{4-[(2,3,4,5-tetrahydroxyhexanoyl)oxy]phenyl}-4H-chromen-7-yl 2,3,4,5-tetrahydroxyhexanoateFormula:
C27H30O16Smiles:
C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)Oc1ccc(-c2oc3cc(OC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](C)O)cc(O)c3c(=O)c2O)cc1Aglycone:
O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12Sugarmoiety:
CC(O)C(O)C(O)C(O)C(=O)OO.CC(O)C(O)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.37 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 285.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD08540
Formula: C15H10O4
Smiles:
O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
