Glycoside
GD122043
Name:
5-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C27H28O15Smiles:
CC(O)(CC(=O)O)CC(=O)OC1C(O)C(CO)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C1OAglycone:
CC(O)(CC(=O)O)CC(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 253.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD17237
Formula: C6H10O5
Smiles:
CC(O)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
