Glycoside
GD153481
Name:
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C36H32O16Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(OC1OC(CO)C(O)C(O)C1O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.28 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 720.64 | Num_heavy_atoms: | 52 |
| TPSA: | 273.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD10334
Formula: C30H22O11
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 558.5 | Num_heavy_atoms: | 41 |
| TPSA: | 194.21 | NumAromaticRings: | 4 |
