Glycoside
GD114981
Name:
5-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4-dicarbaldehydeFormula:
C35H40O19Smiles:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(C)C(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(C=O)C2C=O)C(O)C1OAglycone:
CC1OC(O)C(C=O)C(C=O)C1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.51 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 301.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD45396
Formula: C23H20O10
Smiles:
CC1OC(O)C(C=O)C(C=O)C1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.4 | Num_heavy_atoms: | 33 |
| TPSA: | 163.73 | NumAromaticRings: | 3 |
