Glycoside
GD126138
Name:
{3,4-dihydroxy-5-[4-(5,6,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxolan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C29H24O12Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.5 | Num_heavy_atoms: | 41 |
| TPSA: | 196.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(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 |
