Glycoside
GD141924
Name:
5-(acetyloxy)-9-oxo-14-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-6-yl acetateFormula:
C31H28O15Smiles:
CC(=O)Oc1ccc2c(oc(=O)c3c4ccc(OC5OC(C)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)cc4oc23)c1OC(C)=OAglycone:
CC(=O)Oc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1OC(C)=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.35 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.55 | Num_heavy_atoms: | 46 |
| TPSA: | 193.31 | NumAromaticRings: | 4 |
Unique Aglycone
AD56444
Formula: C19H12O8
Smiles:
CC(=O)Oc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1OC(C)=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.3 | Num_heavy_atoms: | 27 |
| TPSA: | 116.18 | NumAromaticRings: | 4 |
