Glycoside
GD157976
Name:
3-({[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-4-hydroxybut-2-en-1-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C29H32O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC=C(CO)COC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(C=Cc1ccc(O)c(O)c1)OCC=C(CO)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 604.56 | Num_heavy_atoms: | 43 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD51853
Formula: C14H16O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC=C(CO)CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
