Glycoside
GD117679
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-7-methoxy-4-oxo-2-{4-[3-(2,3,4-trihydroxy-6-methoxyphenyl)propoxy]phenyl}-4H-chromen-6-yl)oxy]oxan-2-yl}methyl acetateFormula:
C34H36O16Smiles:
COc1cc(O)c(O)c(O)c1CCCOc1ccc(-c2cc(=O)c3c(O)c(OC4OC(COC(C)=O)C(O)C(O)C4O)c(OC)cc3o2)cc1Aglycone:
COC(C)=O.COc1cc2oc(-c3ccc(OCCCc4c(OC)cc(O)c(O)c4O)cc3)cc(=O)c2c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 700.65 | Num_heavy_atoms: | 50 |
| TPSA: | 244.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46956
Formula: C26H24O10
Smiles:
COc1cc2oc(-c3ccc(OCCCc4c(OC)cc(O)c(O)c4O)cc3)cc(=O)c2c(O)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.47 | Num_heavy_atoms: | 36 |
| TPSA: | 159.05 | NumAromaticRings: | 4 |
