Glycoside
GD158187
Name:
(3,4,5-trihydroxy-6-{[4-hydroxy-4-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxan-2-yl)methyl acetateFormula:
C24H26O12Smiles:
COc1cc(O)c2c(=O)cc(C3(O)C=CC(OC4OC(COC(C)=O)C(O)C(O)C4O)C=C3)oc2c1Aglycone:
COC(C)=O.COc1cc(O)c2c(=O)cc(C3(O)C=CC(O)C=C3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 185.35 | 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 |
AD44982
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(=O)cc(C3(O)C=CC(O)C=C3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
