Glycoside
GD145248
Name:
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C42H40O20Smiles:
O=C1CC(c2ccc(O)c(-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21Aglycone:
O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 864.76 | Num_heavy_atoms: | 62 |
| TPSA: | 336.19 | NumAromaticRings: | 5 |
Unique Aglycone
AD54480
Formula: C30H20O10
Smiles:
O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 540.48 | Num_heavy_atoms: | 40 |
| TPSA: | 177.89 | NumAromaticRings: | 5 |
