Glycoside
GD136554
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-2,6,8-trimethyl-4-oxo-4H-chromen-7-yl)oxy]oxan-2-yl}methyl acetateFormula:
C20H24O10Smiles:
CC(=O)OCC1OC(Oc2c(C)c(O)c3c(=O)cc(C)oc3c2C)C(O)C(O)C1OAglycone:
COC(C)=O.Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.4 | Num_heavy_atoms: | 30 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
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 |
AD15321
Formula: C12H12O4
Smiles:
Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
