Glycoside
GD139977
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C31H30O14Smiles:
COc1ccc(C=CC(=O)OCC2OC(Oc3cc(O)c4c(c3)OC(c3ccc(O)c(O)c3)CC4=O)C(O)C(O)C2O)cc1OAglycone:
COC(=O)C=Cc1ccc(OC)c(O)c1.O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.57 | Num_heavy_atoms: | 45 |
| TPSA: | 221.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00087
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
AD06791
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(O)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 |
