Glycoside
GD153490
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 3-phenylprop-2-enoateFormula:
C31H28O12Smiles:
COc1c(OC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OAglycone:
COC(=O)C=Cc1ccccc1.COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.55 | Num_heavy_atoms: | 43 |
| TPSA: | 185.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD10220
Formula: C16H12O6
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
