Glycoside
GD116015
Name:
6-({6-[(1,8-dihydroxy-6-methoxy-9-oxo-9H-xanthen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C28H32O16Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC4OC(COC5OC(C)C(OC(C)=O)C(O)C5O)C(O)C(O)C4O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 244.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD02811
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
