Glycoside
GD114185
Name:
[3,5-bis(acetyloxy)-4-hydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetateFormula:
C28H28O13Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 177.26 | NumAromaticRings: | 3 |
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 |
AD11999
Formula: C16H12O5
Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
