Glycoside
GD130843
Name:
{6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,5-dihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C39H32O14Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.15 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.67 | Num_heavy_atoms: | 53 |
| TPSA: | 222.65 | NumAromaticRings: | 5 |
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 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
