Glycoside
GD123712
Name:
2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-hydroxy-6-methyl-3-{[3-(4-methylphenyl)prop-2-enoyl]oxy}oxan-4-yl 3-(4-methylphenyl)prop-2-enoateFormula:
C41H36O12Smiles:
Cc1ccc(C=CC(=O)OC2C(Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)OC(C)C(O)C2OC(=O)C=Cc2ccc(C)cc2)cc1Aglycone:
Cc1ccc(C=CC(=O)O)cc1.Cc1ccc(C=CC(=O)O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 720.73 | Num_heavy_atoms: | 53 |
| TPSA: | 182.19 | NumAromaticRings: | 5 |
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 |
AD49946
Formula: C10H10O2
Smiles:
Cc1ccc(C=CC(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
