Glycoside
GD132987
Name:
2-(3,5-dihydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H30O11Smiles:
COc1c(O)cc(-c2cc(=O)c3cc(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1OAglycone:
COc1c(O)cc(-c2cc(=O)c3cc(CC=C(C)C)c(O)cc3o2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.53 | Num_heavy_atoms: | 38 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD53836
Formula: C21H20O6
Smiles:
COc1c(O)cc(-c2cc(=O)c3cc(CC=C(C)C)c(O)cc3o2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
