Glycoside
GD130016
Name:
2-(acetyloxy)-5-[5-hydroxy-4-oxo-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-2-yl]phenyl acetateFormula:
C31H34O19Smiles:
CC(=O)Oc1ccc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1OC(C)=OAglycone:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 710.59 | Num_heavy_atoms: | 50 |
| TPSA: | 301.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD52678
Formula: C19H14O9
Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OC(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.31 | Num_heavy_atoms: | 28 |
| TPSA: | 143.5 | NumAromaticRings: | 3 |
