Glycoside
GD029996
Name:
(3,4,5-trihydroxy-6-{[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-oxoprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C36H38O14Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OC[C@@H]3c4cc(C=CC=O)cc(OC)c4O[C@H]3c3ccc(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.69 | Num_heavy_atoms: | 50 |
| TPSA: | 199.9 | 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 |
AD19445
Formula: C20H20O6
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC=O)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
