Glycoside
GD131025
Name:
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyl]oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C32H30O15Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2(C(=O)C=Cc3ccc(O)cc3)OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O.O=CC=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.25 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.58 | Num_heavy_atoms: | 47 |
| TPSA: | 246.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD09324
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
