Glycoside
GD135990
Name:
2-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-5-hydroxy-2-methyl-4-[(2-methyl-4-oxopentan-2-yl)oxy]oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C35H42O17Smiles:
CC(=O)CC(C)(C)OC1C(O)C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(C)C1OC1OC(CO)C(O)C(OC(C)=O)C1OAglycone:
CC(=O)CC(C)(C)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)C(CO)OC(OC2C(C)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.51 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 734.7 | Num_heavy_atoms: | 52 |
| TPSA: | 261.34 | 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 |
AD53622
Formula: C6H12O2
Smiles:
CC(=O)CC(C)(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
