Glycoside
GD148479
Name:
1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl}-9H-xanthen-9-oneFormula:
C20H20O11Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(CC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
Cc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 201.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD59413
Formula: C14H10O6
Smiles:
Cc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
