Glycoside
GD143275
Name:
(3,4,5-trihydroxy-6-{[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxyprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C37H42O14Smiles:
COCC=Cc1cc(OC)c2c(c1)C(COC1OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(O)C1O)C(c1ccc(O)c(OC)c1)O2Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COCC=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 710.73 | Num_heavy_atoms: | 51 |
| TPSA: | 192.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD46143
Formula: C21H24O6
Smiles:
COCC=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
