Glycoside
GD156176
Name:
2,8-dihydroxy-5,6-dimethoxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C27H32O17Smiles:
COc1cc(O)c2c(=O)c3c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c(O)ccc3oc2c1OCAglycone:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.54 | Num_heavy_atoms: | 44 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD01881
Formula: C15H12O7
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
