Glycoside
GD151533
Name:
[3,4,5-tris(acetyloxy)-6-{4-[9-(acetyloxy)-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]phenoxy}oxan-2-yl]methyl acetateFormula:
C32H30O16Smiles:
CC(=O)OCC1OC(Oc2ccc(-c3coc4cc5c(c(OC(C)=O)c4c3=O)OCO5)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)Oc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OCO2.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.58 | Num_heavy_atoms: | 48 |
| TPSA: | 198.63 | 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 |
AD60423
Formula: C18H12O7
Smiles:
CC(=O)Oc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.29 | Num_heavy_atoms: | 25 |
| TPSA: | 95.2 | NumAromaticRings: | 3 |
