Glycoside
GD123251
Name:
{6-[4-(6,8-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H26O12Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(-c3cc(=O)c4cc(O)cc(O)c4o3)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2c(O)cc(O)cc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.53 | Num_heavy_atoms: | 42 |
| 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 |
AD49718
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)cc(O)cc12| 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 |
