Glycoside
GD136087
Name:
4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3,4-dimethoxybenzoateFormula:
C31H30O13Smiles:
COc1ccc(C(=O)OC2C(c3c(OC)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(CO)C(O)C2O)cc1OCAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1.COc1ccc(C(=O)O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 44 |
| TPSA: | 194.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD04892
Formula: C9H10O4
Smiles:
COc1ccc(C(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD05008
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
