Glycoside
GD130230
Name:
2-[2-(5,7-dihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-4-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C33H34O16Smiles:
COc1cc(C=CC(=O)OC2C(Oc3ccc(O)cc3C3CC(=O)c4c(cc(O)c(OC)c4O)O3)OC(CO)C(O)C2O)cc(OC)c1OAglycone:
COc1c(O)cc2c(c1O)C(=O)CC(c1cc(O)ccc1O)O2.COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.62 | Num_heavy_atoms: | 49 |
| TPSA: | 240.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
AD46549
Formula: C16H14O7
Smiles:
COc1c(O)cc2c(c1O)C(=O)CC(c1cc(O)ccc1O)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
